
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  ''
_cell_length_a                         22.086201
_cell_length_b                         22.086201
_cell_length_c                         29.799500
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      120.000000
_cell_volume                           12588.721652
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   H1          1.0     0.540547     0.374247     0.177448    Biso  1.000000 H
   H2          1.0     0.413826     0.521529     0.168900    Biso  1.000000 H
   H3          1.0     0.765962     0.289024     0.177389    Biso  1.000000 H
   H4          1.0     0.618694     0.014959     0.168869    Biso  1.000000 H
   H5          1.0     0.851227     0.599676     0.177460    Biso  1.000000 H
   H6          1.0     0.125211     0.726437     0.168899    Biso  1.000000 H
   H7          1.0     0.564553     0.800901     0.177247    Biso  1.000000 H
   H8          1.0     0.691226     0.653603     0.168859    Biso  1.000000 H
   H9          1.0     0.339297     0.886409     0.177262    Biso  1.000000 H
   H10         1.0     0.486607     0.160295     0.168844    Biso  1.000000 H
   H11         1.0     0.253835     0.575693     0.177337    Biso  1.000000 H
   H12         1.0     0.979947     0.449015     0.168849    Biso  1.000000 H
   H13         1.0     0.766247     0.599825     0.177398    Biso  1.000000 H
   H14         1.0     0.619194     0.726073     0.177391    Biso  1.000000 H
   H15         1.0     0.851050     0.373945     0.177355    Biso  1.000000 H
   H16         1.0     0.124368     0.521050     0.177416    Biso  1.000000 H
   H17         1.0     0.540402     0.289124     0.177423    Biso  1.000000 H
   H18         1.0     0.414155     0.015836     0.177401    Biso  1.000000 H
   H19         1.0     0.338847     0.575450     0.177349    Biso  1.000000 H
   H20         1.0     0.485888     0.449065     0.177441    Biso  1.000000 H
   H21         1.0     0.254076     0.801414     0.177328    Biso  1.000000 H
   H22         1.0     0.980613     0.654284     0.177446    Biso  1.000000 H
   H23         1.0     0.564770     0.886077     0.177293    Biso  1.000000 H
   H24         1.0     0.691171     0.159556     0.177426    Biso  1.000000 H
   C1          1.0     0.590762     0.422446     0.178788    Biso  1.000000 C
   C2          1.0     0.589728     0.485401     0.179290    Biso  1.000000 C
   C3          1.0     0.719225     0.486363     0.181301    Biso  1.000000 C
   C4          1.0     0.717793     0.291057     0.178756    Biso  1.000000 C
   C5          1.0     0.654849     0.227063     0.179302    Biso  1.000000 C
   C6          1.0     0.653852     0.355602     0.181305    Biso  1.000000 C
   C7          1.0     0.849198     0.549455     0.178728    Biso  1.000000 C
   C8          1.0     0.913161     0.550451     0.179267    Biso  1.000000 C
   C9          1.0     0.784653     0.421006     0.181277    Biso  1.000000 C
   C10         1.0     0.514331     0.752751     0.178612    Biso  1.000000 C
   C11         1.0     0.515366     0.689800     0.179188    Biso  1.000000 C
   C12         1.0     0.385888     0.688926     0.181199    Biso  1.000000 C
   C13         1.0     0.387474     0.884352     0.178576    Biso  1.000000 C
   C14         1.0     0.450446     0.948314     0.179128    Biso  1.000000 C
   C15         1.0     0.451301     0.819715     0.181162    Biso  1.000000 C
   C16         1.0     0.255886     0.625911     0.178673    Biso  1.000000 C
   C17         1.0     0.191919     0.624903     0.179199    Biso  1.000000 C
   C18         1.0     0.320508     0.754376     0.181202    Biso  1.000000 C
   C19         1.0     0.718081     0.549543     0.178135    Biso  1.000000 C
   C20         1.0     0.655115     0.550341     0.177986    Biso  1.000000 C
   C21         1.0     0.653959     0.421216     0.181393    Biso  1.000000 C
   C22         1.0     0.848966     0.422126     0.178106    Biso  1.000000 C
   C23         1.0     0.912730     0.485081     0.177958    Biso  1.000000 C
   C24         1.0     0.784757     0.486283     0.181358    Biso  1.000000 C
   C25         1.0     0.590687     0.291278     0.178138    Biso  1.000000 C
   C26         1.0     0.589887     0.227499     0.177983    Biso  1.000000 C
   C27         1.0     0.719021     0.355484     0.181374    Biso  1.000000 C
   C28         1.0     0.386990     0.625716     0.178001    Biso  1.000000 C
   C29         1.0     0.449948     0.624860     0.177883    Biso  1.000000 C
   C30         1.0     0.451175     0.754060     0.181263    Biso  1.000000 C
   C31         1.0     0.256202     0.753259     0.178011    Biso  1.000000 C
   C32         1.0     0.192374     0.690305     0.177909    Biso  1.000000 C
   C33         1.0     0.320379     0.689089     0.181281    Biso  1.000000 C
   C34         1.0     0.514512     0.884002     0.177951    Biso  1.000000 C
   C35         1.0     0.515376     0.947823     0.177856    Biso  1.000000 C
   C36         1.0     0.386189     0.819886     0.181236    Biso  1.000000 C
   N1          1.0     0.646661     0.606575     0.173290    Biso  1.000000 N
   N2          1.0     0.533653     0.162790     0.173298    Biso  1.000000 N
   N3          1.0     0.977427     0.493551     0.173292    Biso  1.000000 N
   N4          1.0     0.458363     0.568586     0.173328    Biso  1.000000 N
   N5          1.0     0.571655     0.012498     0.173289    Biso  1.000000 N
   N6          1.0     0.127690     0.681880     0.173325    Biso  1.000000 N
   N7          1.0     0.533290     0.493936     0.178249    Biso  1.000000 N
   N8          1.0     0.978107     0.606905     0.178245    Biso  1.000000 N
   N9          1.0     0.646321     0.162106     0.178239    Biso  1.000000 N
   N10         1.0     0.571777     0.681228     0.178216    Biso  1.000000 N
   N11         1.0     0.126970     0.568483     0.178230    Biso  1.000000 N
   N12         1.0     0.459008     0.013278     0.178176    Biso  1.000000 N
   Fe1         1.0     0.552678     0.087688     0.170092    Biso  1.000000 Fe
   Fe2         1.0     0.052519     0.587703     0.170094    Biso  1.000000 Fe
   Fe3         1.0     0.552527     0.587574     0.170100    Biso  1.000000 Fe
   Au1         1.0     0.000000     0.666670     0.080023    Biso  1.000000 Au
   Au2         1.0     0.017540     0.807020     0.080023    Biso  1.000000 Au
   Au3         1.0     0.035090     0.947370     0.080023    Biso  1.000000 Au
   Au4         1.0     0.052630     0.087720     0.080023    Biso  1.000000 Au
   Au5         1.0     0.070180     0.228070     0.080023    Biso  1.000000 Au
   Au6         1.0     0.087720     0.368420     0.080023    Biso  1.000000 Au
   Au7         1.0     0.105260     0.508770     0.080023    Biso  1.000000 Au
   Au8         1.0     0.122810     0.649120     0.080023    Biso  1.000000 Au
   Au9         1.0     0.140350     0.789470     0.080023    Biso  1.000000 Au
   Au10        1.0     0.157890     0.929820     0.080023    Biso  1.000000 Au
   Au11        1.0     0.175440     0.070180     0.080023    Biso  1.000000 Au
   Au12        1.0     0.192980     0.210530     0.080023    Biso  1.000000 Au
   Au13        1.0     0.210530     0.350880     0.080023    Biso  1.000000 Au
   Au14        1.0     0.228070     0.491230     0.080023    Biso  1.000000 Au
   Au15        1.0     0.245610     0.631580     0.080023    Biso  1.000000 Au
   Au16        1.0     0.263160     0.771930     0.080023    Biso  1.000000 Au
   Au17        1.0     0.280700     0.912280     0.080023    Biso  1.000000 Au
   Au18        1.0     0.298250     0.052630     0.080023    Biso  1.000000 Au
   Au19        1.0     0.315790     0.192980     0.080023    Biso  1.000000 Au
   Au20        1.0     0.333330     0.333330     0.080023    Biso  1.000000 Au
   Au21        1.0     0.350880     0.473680     0.080023    Biso  1.000000 Au
   Au22        1.0     0.368420     0.614040     0.080023    Biso  1.000000 Au
   Au23        1.0     0.385960     0.754390     0.080023    Biso  1.000000 Au
   Au24        1.0     0.403510     0.894740     0.080023    Biso  1.000000 Au
   Au25        1.0     0.421050     0.035090     0.080023    Biso  1.000000 Au
   Au26        1.0     0.438600     0.175440     0.080023    Biso  1.000000 Au
   Au27        1.0     0.456140     0.315790     0.080023    Biso  1.000000 Au
   Au28        1.0     0.473680     0.456140     0.080023    Biso  1.000000 Au
   Au29        1.0     0.491230     0.596490     0.080023    Biso  1.000000 Au
   Au30        1.0     0.508770     0.736840     0.080023    Biso  1.000000 Au
   Au31        1.0     0.526320     0.877190     0.080023    Biso  1.000000 Au
   Au32        1.0     0.543860     0.017540     0.080023    Biso  1.000000 Au
   Au33        1.0     0.561400     0.157890     0.080023    Biso  1.000000 Au
   Au34        1.0     0.578950     0.298250     0.080023    Biso  1.000000 Au
   Au35        1.0     0.596490     0.438600     0.080023    Biso  1.000000 Au
   Au36        1.0     0.614040     0.578950     0.080023    Biso  1.000000 Au
   Au37        1.0     0.631580     0.719300     0.080023    Biso  1.000000 Au
   Au38        1.0     0.649120     0.859650     0.080023    Biso  1.000000 Au
   Au39        1.0     0.666670     0.000000     0.080023    Biso  1.000000 Au
   Au40        1.0     0.684210     0.140350     0.080023    Biso  1.000000 Au
   Au41        1.0     0.701750     0.280700     0.080023    Biso  1.000000 Au
   Au42        1.0     0.719300     0.421050     0.080023    Biso  1.000000 Au
   Au43        1.0     0.736840     0.561400     0.080023    Biso  1.000000 Au
   Au44        1.0     0.754390     0.701750     0.080023    Biso  1.000000 Au
   Au45        1.0     0.771930     0.842110     0.080023    Biso  1.000000 Au
   Au46        1.0     0.789470     0.982460     0.080023    Biso  1.000000 Au
   Au47        1.0     0.807020     0.122810     0.080023    Biso  1.000000 Au
   Au48        1.0     0.824560     0.263160     0.080023    Biso  1.000000 Au
   Au49        1.0     0.842110     0.403510     0.080023    Biso  1.000000 Au
   Au50        1.0     0.859650     0.543860     0.080023    Biso  1.000000 Au
   Au51        1.0     0.877190     0.684210     0.080023    Biso  1.000000 Au
   Au52        1.0     0.894740     0.824560     0.080023    Biso  1.000000 Au
   Au53        1.0     0.912280     0.964910     0.080023    Biso  1.000000 Au
   Au54        1.0     0.929820     0.105260     0.080023    Biso  1.000000 Au
   Au55        1.0     0.947370     0.245610     0.080023    Biso  1.000000 Au
   Au56        1.0     0.964910     0.385960     0.080023    Biso  1.000000 Au
   Au57        1.0     0.982460     0.526320     0.080023    Biso  1.000000 Au
   Au58        1.0     0.000000     0.000000     0.999748    Biso  1.000000 Au
   Au59        1.0     0.017540     0.140350     0.999748    Biso  1.000000 Au
   Au60        1.0     0.035090     0.280700     0.999748    Biso  1.000000 Au
   Au61        1.0     0.052630     0.421050     0.999748    Biso  1.000000 Au
   Au62        1.0     0.070180     0.561400     0.999748    Biso  1.000000 Au
   Au63        1.0     0.087720     0.701750     0.999748    Biso  1.000000 Au
   Au64        1.0     0.105260     0.842110     0.999748    Biso  1.000000 Au
   Au65        1.0     0.122810     0.982460     0.999748    Biso  1.000000 Au
   Au66        1.0     0.140350     0.122810     0.999748    Biso  1.000000 Au
   Au67        1.0     0.157890     0.263160     0.999748    Biso  1.000000 Au
   Au68        1.0     0.175440     0.403510     0.999748    Biso  1.000000 Au
   Au69        1.0     0.192980     0.543860     0.999748    Biso  1.000000 Au
   Au70        1.0     0.210530     0.684210     0.999748    Biso  1.000000 Au
   Au71        1.0     0.228070     0.824560     0.999748    Biso  1.000000 Au
   Au72        1.0     0.245610     0.964910     0.999748    Biso  1.000000 Au
   Au73        1.0     0.263160     0.105260     0.999748    Biso  1.000000 Au
   Au74        1.0     0.280700     0.245610     0.999748    Biso  1.000000 Au
   Au75        1.0     0.298250     0.385960     0.999748    Biso  1.000000 Au
   Au76        1.0     0.315790     0.526320     0.999748    Biso  1.000000 Au
   Au77        1.0     0.333330     0.666670     0.999748    Biso  1.000000 Au
   Au78        1.0     0.350880     0.807020     0.999748    Biso  1.000000 Au
   Au79        1.0     0.368420     0.947370     0.999748    Biso  1.000000 Au
   Au80        1.0     0.385960     0.087720     0.999748    Biso  1.000000 Au
   Au81        1.0     0.403510     0.228070     0.999748    Biso  1.000000 Au
   Au82        1.0     0.421050     0.368420     0.999748    Biso  1.000000 Au
   Au83        1.0     0.438600     0.508770     0.999748    Biso  1.000000 Au
   Au84        1.0     0.456140     0.649120     0.999748    Biso  1.000000 Au
   Au85        1.0     0.473680     0.789470     0.999748    Biso  1.000000 Au
   Au86        1.0     0.491230     0.929820     0.999748    Biso  1.000000 Au
   Au87        1.0     0.508770     0.070180     0.999748    Biso  1.000000 Au
   Au88        1.0     0.526320     0.210530     0.999748    Biso  1.000000 Au
   Au89        1.0     0.543860     0.350880     0.999748    Biso  1.000000 Au
   Au90        1.0     0.561400     0.491230     0.999748    Biso  1.000000 Au
   Au91        1.0     0.578950     0.631580     0.999748    Biso  1.000000 Au
   Au92        1.0     0.596490     0.771930     0.999748    Biso  1.000000 Au
   Au93        1.0     0.614040     0.912280     0.999748    Biso  1.000000 Au
   Au94        1.0     0.631580     0.052630     0.999748    Biso  1.000000 Au
   Au95        1.0     0.649120     0.192980     0.999748    Biso  1.000000 Au
   Au96        1.0     0.666670     0.333330     0.999748    Biso  1.000000 Au
   Au97        1.0     0.684210     0.473680     0.999748    Biso  1.000000 Au
   Au98        1.0     0.701750     0.614040     0.999748    Biso  1.000000 Au
   Au99        1.0     0.719300     0.754390     0.999748    Biso  1.000000 Au
   Au100       1.0     0.736840     0.894740     0.999748    Biso  1.000000 Au
   Au101       1.0     0.754390     0.035090     0.999748    Biso  1.000000 Au
   Au102       1.0     0.771930     0.175440     0.999748    Biso  1.000000 Au
   Au103       1.0     0.789470     0.315790     0.999748    Biso  1.000000 Au
   Au104       1.0     0.807020     0.456140     0.999748    Biso  1.000000 Au
   Au105       1.0     0.824560     0.596490     0.999748    Biso  1.000000 Au
   Au106       1.0     0.842110     0.736840     0.999748    Biso  1.000000 Au
   Au107       1.0     0.859650     0.877190     0.999748    Biso  1.000000 Au
   Au108       1.0     0.877190     0.017540     0.999748    Biso  1.000000 Au
   Au109       1.0     0.894740     0.157890     0.999748    Biso  1.000000 Au
   Au110       1.0     0.912280     0.298250     0.999748    Biso  1.000000 Au
   Au111       1.0     0.929820     0.438600     0.999748    Biso  1.000000 Au
   Au112       1.0     0.947370     0.578950     0.999748    Biso  1.000000 Au
   Au113       1.0     0.964910     0.719300     0.999748    Biso  1.000000 Au
   Au114       1.0     0.982460     0.859650     0.999748    Biso  1.000000 Au
   Au115       1.0     0.000000     0.333330     0.919472    Biso  1.000000 Au
   Au116       1.0     0.017540     0.473680     0.919472    Biso  1.000000 Au
   Au117       1.0     0.035090     0.614040     0.919472    Biso  1.000000 Au
   Au118       1.0     0.052630     0.754390     0.919472    Biso  1.000000 Au
   Au119       1.0     0.070180     0.894740     0.919472    Biso  1.000000 Au
   Au120       1.0     0.087720     0.035090     0.919472    Biso  1.000000 Au
   Au121       1.0     0.105260     0.175440     0.919472    Biso  1.000000 Au
   Au122       1.0     0.122810     0.315790     0.919472    Biso  1.000000 Au
   Au123       1.0     0.140350     0.456140     0.919472    Biso  1.000000 Au
   Au124       1.0     0.157890     0.596490     0.919472    Biso  1.000000 Au
   Au125       1.0     0.175440     0.736840     0.919472    Biso  1.000000 Au
   Au126       1.0     0.192980     0.877190     0.919472    Biso  1.000000 Au
   Au127       1.0     0.210530     0.017540     0.919472    Biso  1.000000 Au
   Au128       1.0     0.228070     0.157890     0.919472    Biso  1.000000 Au
   Au129       1.0     0.245610     0.298250     0.919472    Biso  1.000000 Au
   Au130       1.0     0.263160     0.438600     0.919472    Biso  1.000000 Au
   Au131       1.0     0.280700     0.578950     0.919472    Biso  1.000000 Au
   Au132       1.0     0.298250     0.719300     0.919472    Biso  1.000000 Au
   Au133       1.0     0.315790     0.859650     0.919472    Biso  1.000000 Au
   Au134       1.0     0.333330     0.000000     0.919472    Biso  1.000000 Au
   Au135       1.0     0.350880     0.140350     0.919472    Biso  1.000000 Au
   Au136       1.0     0.368420     0.280700     0.919472    Biso  1.000000 Au
   Au137       1.0     0.385960     0.421050     0.919472    Biso  1.000000 Au
   Au138       1.0     0.403510     0.561400     0.919472    Biso  1.000000 Au
   Au139       1.0     0.421050     0.701750     0.919472    Biso  1.000000 Au
   Au140       1.0     0.438600     0.842110     0.919472    Biso  1.000000 Au
   Au141       1.0     0.456140     0.982460     0.919472    Biso  1.000000 Au
   Au142       1.0     0.473680     0.122810     0.919472    Biso  1.000000 Au
   Au143       1.0     0.491230     0.263160     0.919472    Biso  1.000000 Au
   Au144       1.0     0.508770     0.403510     0.919472    Biso  1.000000 Au
   Au145       1.0     0.526320     0.543860     0.919472    Biso  1.000000 Au
   Au146       1.0     0.543860     0.684210     0.919472    Biso  1.000000 Au
   Au147       1.0     0.561400     0.824560     0.919472    Biso  1.000000 Au
   Au148       1.0     0.578950     0.964910     0.919472    Biso  1.000000 Au
   Au149       1.0     0.596490     0.105260     0.919472    Biso  1.000000 Au
   Au150       1.0     0.614040     0.245610     0.919472    Biso  1.000000 Au
   Au151       1.0     0.631580     0.385960     0.919472    Biso  1.000000 Au
   Au152       1.0     0.649120     0.526320     0.919472    Biso  1.000000 Au
   Au153       1.0     0.666670     0.666670     0.919472    Biso  1.000000 Au
   Au154       1.0     0.684210     0.807020     0.919472    Biso  1.000000 Au
   Au155       1.0     0.701750     0.947370     0.919472    Biso  1.000000 Au
   Au156       1.0     0.719300     0.087720     0.919472    Biso  1.000000 Au
   Au157       1.0     0.736840     0.228070     0.919472    Biso  1.000000 Au
   Au158       1.0     0.754390     0.368420     0.919472    Biso  1.000000 Au
   Au159       1.0     0.771930     0.508770     0.919472    Biso  1.000000 Au
   Au160       1.0     0.789470     0.649120     0.919472    Biso  1.000000 Au
   Au161       1.0     0.807020     0.789470     0.919472    Biso  1.000000 Au
   Au162       1.0     0.824560     0.929820     0.919472    Biso  1.000000 Au
   Au163       1.0     0.842110     0.070180     0.919472    Biso  1.000000 Au
   Au164       1.0     0.859650     0.210530     0.919472    Biso  1.000000 Au
   Au165       1.0     0.877190     0.350880     0.919472    Biso  1.000000 Au
   Au166       1.0     0.894740     0.491230     0.919472    Biso  1.000000 Au
   Au167       1.0     0.912280     0.631580     0.919472    Biso  1.000000 Au
   Au168       1.0     0.929820     0.771930     0.919472    Biso  1.000000 Au
   Au169       1.0     0.947370     0.912280     0.919472    Biso  1.000000 Au
   Au170       1.0     0.964910     0.052630     0.919472    Biso  1.000000 Au
   Au171       1.0     0.982460     0.192980     0.919472    Biso  1.000000 Au
