#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  '100control g .36 .40                  '
_cell_length_a                         10.39427
_cell_length_b                         5.17357
_cell_length_c                         15.44653
_cell_angle_alpha                      98.06462
_cell_angle_beta                       93.00000
_cell_angle_gamma                      122.00000
_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
   Li1        1.0     0.331948     -0.003756      0.127893     Biso  1.000000 Li
   Li2        1.0     0.835227     -0.002942      0.122812     Biso  1.000000 Li
   Li3        1.0     0.693676      0.403076      0.631392     Biso  1.000000 Li
   Li4        1.0     0.190660      0.394707      0.628197     Biso  1.000000 Li
   Al1        1.0     0.001998      0.667900      0.122158     Biso  1.000000 Al
   Al2        1.0     0.164103      0.333978      0.122569     Biso  1.000000 Al
   Al3        1.0     0.496341      0.657131      0.126888     Biso  1.000000 Al
   Al4        1.0     0.666192      0.332191      0.123161     Biso  1.000000 Al
   Al5        1.0     0.356250      0.060110      0.625337     Biso  1.000000 Al
   Al6        1.0     0.521600      0.727051      0.624667     Biso  1.000000 Al
   Al7        1.0     0.857716      0.056148      0.622986     Biso  1.000000 Al
   Al8        1.0     0.024454      0.731765      0.625035     Biso  1.000000 Al
   H1         1.0    -0.006473     -0.099022      0.989843     Biso  1.000000 H
   H2         1.0     0.151329      0.598009     -0.001361     Biso  1.000000 H
   H3         1.0     0.278485      0.263925      0.993459     Biso  1.000000 H
   H4         1.0     0.459974     -0.119543      0.996625     Biso  1.000000 H
   H5         1.0     0.614284      0.538023     -0.002028     Biso  1.000000 H
   H6         1.0     0.839073      0.289210      0.992923     Biso  1.000000 H
   H7         1.0     0.057501      0.451611      0.251407     Biso  1.000000 H
   H8         1.0     0.182609      0.108611      0.254771     Biso  1.000000 H
   H9         1.0     0.355519      0.709063      0.257295     Biso  1.000000 H
   H10        1.0     0.528470      0.388516      0.254022     Biso  1.000000 H
   H11        1.0     0.668185      0.104900      0.254529     Biso  1.000000 H
   H12        1.0     0.871992      0.732369      0.252848     Biso  1.000000 H
   H13        1.0     0.688041      0.768980      0.377583     Biso  1.000000 H
   H14        1.0     0.862801      0.859398      0.385467     Biso  1.000000 H
   H15        1.0     0.173408      0.113470      0.388288     Biso  1.000000 H
   H16        1.0     0.045457      0.772903      0.366486     Biso  1.000000 H
   H17        1.0     0.341378      0.303572      0.495958     Biso  1.000000 H
   H18        1.0     0.493758     -0.017890      0.498125     Biso  1.000000 H
   H19        1.0     0.653810      0.613105      0.496194     Biso  1.000000 H
   H20        1.0     0.827714      0.313804      0.495051     Biso  1.000000 H
   H21        1.0     0.013215     -0.008339      0.498668     Biso  1.000000 H
   H22        1.0     0.168142      0.683406      0.493003     Biso  1.000000 H
   H23        1.0     0.372672      0.803102      0.752837     Biso  1.000000 H
   H24        1.0     0.537801      0.482994      0.755621     Biso  1.000000 H
   H25        1.0     0.741613      0.098908      0.754130     Biso  1.000000 H
   H26        1.0     0.919550      0.873210      0.756651     Biso  1.000000 H
   H27        1.0     0.045103      0.524144      0.751473     Biso  1.000000 H
   H28        1.0     0.213645      0.100705      0.759478     Biso  1.000000 H
   H29        1.0     0.462211      0.419997      0.869474     Biso  1.000000 H
   H30        1.0     0.582846      0.332137      0.839575     Biso  1.000000 H
   H31        1.0     0.670428      0.133002      0.904242     Biso  1.000000 H
   H32        1.0     0.688559      0.861462      0.890147     Biso  1.000000 H
   C1         1.0     0.354738      0.020062      0.373728     Biso  1.000000 C
   C2         1.0     0.070631      0.483948      0.877575     Biso  1.000000 C
   O1         1.0    -0.002278     -0.051860      0.054419     Biso  1.000000 O
   O2         1.0     0.144177      0.608216      0.062531     Biso  1.000000 O
   O3         1.0     0.310650      0.310900      0.057919     Biso  1.000000 O
   O4         1.0     0.496951     -0.054426      0.059968     Biso  1.000000 O
   O5         1.0     0.637010      0.596638      0.062370     Biso  1.000000 O
   O6         1.0     0.821884      0.318697      0.055265     Biso  1.000000 O
   O7         1.0     0.024661      0.391397      0.187546     Biso  1.000000 O
   O8         1.0     0.166017      0.049595      0.190535     Biso  1.000000 O
   O9         1.0     0.349295      0.675334      0.192780     Biso  1.000000 O
   O10        1.0     0.529687      0.398242      0.190878     Biso  1.000000 O
   O11        1.0     0.668195      0.048101      0.191704     Biso  1.000000 O
   O12        1.0     0.852204      0.681371      0.188199     Biso  1.000000 O
   O13        1.0     0.488533      0.069202      0.376037     Biso  1.000000 O
   O14        1.0     0.341431      0.262532      0.393017     Biso  1.000000 O
   O15        1.0     0.230283      0.741226      0.356433     Biso  1.000000 O
   O16        1.0     0.754666      0.692700      0.385668     Biso  1.000000 O
   O17        1.0     0.050305     -0.028365      0.385121     Biso  1.000000 O
   O18        1.0     0.352131      0.341675      0.562242     Biso  1.000000 O
   O19        1.0     0.497698     -0.002726      0.563790     Biso  1.000000 O
   O20        1.0     0.669508      0.701209      0.559355     Biso  1.000000 O
   O21        1.0     0.855474      0.349911      0.558173     Biso  1.000000 O
   O22        1.0    -0.005591     -0.011094      0.561464     Biso  1.000000 O
   O23        1.0     0.172847      0.710967      0.557457     Biso  1.000000 O
   O24        1.0     0.386735      0.805021      0.690920     Biso  1.000000 O
   O25        1.0     0.526280      0.441675      0.691858     Biso  1.000000 O
   O26        1.0     0.712650      0.076680      0.691016     Biso  1.000000 O
   O27        1.0     0.888941      0.801972      0.692018     Biso  1.000000 O
   O28        1.0     0.028032      0.447642      0.686672     Biso  1.000000 O
   O29        1.0     0.209192      0.076611      0.694748     Biso  1.000000 O
   O30        1.0     0.194296      0.475728      0.879645     Biso  1.000000 O
   O31        1.0     0.079108      0.742069      0.872094     Biso  1.000000 O
   O32        1.0     0.936007      0.234467      0.882340     Biso  1.000000 O
   O33        1.0     0.509758      0.304775      0.880463     Biso  1.000000 O
   O34        1.0     0.610900      0.910573      0.879253     Biso  1.000000 O
