data_image0
_chemical_formula_structural       ZrOZrO
_chemical_formula_sum              "Zr2 O2"
_cell_length_a       3.19895027456435
_cell_length_b       5.732167559091567
_cell_length_c       17.3992547
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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
  Zr  Zr1       1.0  0.0  0.9999466728777816  0.4999998643620063  1.0000
  O   O1        1.0  0.0  0.32366172671582283  0.5523276005609596  1.0000
  Zr  Zr2       1.0  0.5000000008495991  0.4999457919639333  0.5000004517434876  1.0000
  O   O2        1.0  0.0  0.6762321355822877  0.4476720545966834  1.0000