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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'Li8ZrO6                               '
_cell_length_a                         6.00895
_cell_length_b                         6.00895
_cell_length_c                         6.00895
_cell_angle_alpha                      53.85159
_cell_angle_beta                       53.85158
_cell_angle_gamma                      53.85156
_symmetry_space_group_name_H-M         'P 1'
_symmetry_Int_Tables_number            1

loop_
_symmetry_equiv_pos_as_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     0.496755      0.102825      0.765771     Biso  1.000000 Li
   Li2        1.0     0.765772      0.496755      0.102824     Biso  1.000000 Li
   Li3        1.0     0.102824      0.765771      0.496756     Biso  1.000000 Li
   Li4        1.0     0.503246      0.897175      0.234229     Biso  1.000000 Li
   Li5        1.0     0.234229      0.503247      0.897174     Biso  1.000000 Li
   Li6        1.0     0.897176      0.234228      0.503245     Biso  1.000000 Li
   Li7        1.0     0.345960      0.345960      0.345960     Biso  1.000000 Li
   Li8        1.0     0.654041      0.654040      0.654040     Biso  1.000000 Li
   Zr1        1.0    -0.000000      0.000000      0.000000     Biso  1.000000 Zr
   O1         1.0     0.387082      0.764151      0.093490     Biso  1.000000 O
   O2         1.0     0.093489      0.387082      0.764151     Biso  1.000000 O
   O3         1.0     0.764151      0.093490      0.387082     Biso  1.000000 O
   O4         1.0     0.612918      0.235849      0.906510     Biso  1.000000 O
   O5         1.0     0.906510      0.612918      0.235849     Biso  1.000000 O
   O6         1.0     0.235849      0.906510      0.612918     Biso  1.000000 O
