data_image0
_chemical_formula_structural       Zr2Br6O2
_chemical_formula_sum              "Zr2 Br6 O2"
_cell_length_a       20.499013005919117
_cell_length_b       20.783979812516048
_cell_length_c       6.47055469479245
_cell_angle_alpha    90.00000000000459
_cell_angle_beta     89.99999999999999
_cell_angle_gamma    89.99999999999997

_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  0.4811610945625125  0.5342368479101836  0.7478230676188019  1.0000
  Zr  Zr2       1.0  0.4866269197014668  0.46711476703802407  0.2331844878799617  1.0000
  Br  Br1       1.0  0.6137662491799385  0.4432749116662255  0.5193491113490056  1.0000
  Br  Br2       1.0  0.5041053726587335  0.3525772726263936  0.11164301362480497  1.0000
  Br  Br3       1.0  0.41963360608695144  0.42148976000048327  0.562454095211145  1.0000
  Br  Br4       1.0  0.587754886514788  0.5178212100006605  0.0015225160219684449  1.0000
  Br  Br5       1.0  0.42512502205552244  0.5790151156879062  0.3942592081300478  1.0000
  Br  Br6       1.0  0.47864085844028753  0.6512766368347797  0.8523772961342708  1.0000
  O   O1        1.0  0.5466814151952113  0.5050280835703881  0.49515228909399767  1.0000
  O   O2        1.0  0.4404232678264937  0.49621093223054924  0.9886574049967886  1.0000