data_image0
_chemical_formula_structural       O2Zr6
_chemical_formula_sum              "O2 Zr6"
_cell_length_a       5.650446
_cell_length_b       5.650446191640887
_cell_length_c       6.150705987931142
_cell_angle_alpha    117.34407924117171
_cell_angle_beta     90.0
_cell_angle_gamma    60.00000112193431

_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_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  O   O1        1.0  0.0  0.0  0.0  1.0000
  O   O2        1.0  0.4999990347  0.0  0.5000003836  1.0000
  Zr  Zr1       1.0  0.2500003007  0.1601702948  0.2500001918  1.0000
  Zr  Zr2       1.0  0.5898295744  0.4999994126  0.2500001918  1.0000
  Zr  Zr3       1.0  0.9101718907999999  0.8398285304000002  0.2500001918  1.0000
  Zr  Zr4       1.0  0.08982843920000004  0.16017116359999992  0.7500005752999999  1.0000
  Zr  Zr5       1.0  0.41017075559999994  0.5000002814  0.7500005752999999  1.0000
  Zr  Zr6       1.0  0.7500000293000001  0.8398293991999998  0.7500005752999999  1.0000