data_image0
_chemical_formula_structural       ZrBrIZrBrI
_chemical_formula_sum              "Zr2 Br2 I2"
_cell_length_a       7.655946824390699
_cell_length_b       3.644523843976061
_cell_length_c       19.5
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    118.42358761188991

_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  0.9381642748557787  0.9381669216172138  0.5057288498326757  1.0000
  Br  Br1       1.0  0.3305528632805856  0.3306778150015945  0.5800100625357596  1.0000
  I   I1        1.0  0.17169986680667662  0.6714502004114211  0.4169989089275977  1.0000
  Zr  Zr2       1.0  0.5577813437647321  0.05775019276764054  0.5010122524498568  1.0000
  Br  Br2       1.0  0.8317025850418568  0.3320149113343262  0.6068277547489028  1.0000
  I   I2        1.0  0.6700769148743994  0.6699236841296581  0.38942926983068504  1.0000