data_image0
_chemical_formula_structural       SeHfBrSeBr2SeHfBrHfBrSeHf2ZrBr5
_chemical_formula_sum              "Se4 Hf5 Br10 Zr1"
_cell_length_a       22.617678126694056
_cell_length_b       22.085313900942822
_cell_length_c       7.821838383123961
_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
  Se  Se1       1.0  0.4883865681525337  0.5007786135885711  0.006923165055723499  1.0000
  Hf  Hf1       1.0  0.4436997552605164  0.5722042618091526  0.25821523544199637  1.0000
  Br  Br1       1.0  0.40962033620353366  0.3496470255794739  0.5072520522806672  1.0000
  Se  Se2       1.0  0.36055089848593164  0.5010261114322648  0.7467130748693563  1.0000
  Br  Br2       1.0  0.40453556138643776  0.6486787925953261  0.0031103479741563245  1.0000
  Br  Br3       1.0  0.40929525267413114  0.3518436292041046  0.9959157908518963  1.0000
  Se  Se3       1.0  0.4882440692892607  0.5010249194440841  0.4970170790493892  1.0000
  Hf  Hf2       1.0  0.569783900085388  0.5019883054369889  0.7487467677306286  1.0000
  Br  Br4       1.0  0.6546273583783704  0.49512379642436677  0.5045077238957565  1.0000
  Hf  Hf3       1.0  0.4431410688550968  0.582100175023251  0.7385366090298074  1.0000
  Br  Br5       1.0  0.5579026120715309  0.37808812458294294  0.7505249743620209  1.0000
  Se  Se4       1.0  0.552504789449104  0.6156928563323639  0.7471993285507382  1.0000
  Hf  Hf4       1.0  0.44608679888392194  0.4268378718970718  0.7491657170777265  1.0000
  Hf  Hf5       1.0  0.5704542810011664  0.49451012527143945  0.25653247442125593  1.0000
  Zr  Zr1       1.0  0.4498930832885171  0.42778958772958153  0.25593537389656956  1.0000
  Br  Br6       1.0  0.5601312936719077  0.374248689036235  0.24804202043527795  1.0000
  Br  Br7       1.0  0.40163565870498785  0.6532337814307956  0.4917389356991798  1.0000
  Br  Br8       1.0  0.652567677613553  0.4965281210958263  0.9999911936601544  1.0000
  Br  Br9       1.0  0.5553556162512049  0.6176206914485499  0.2497797183051638  1.0000
  Br  Br10      1.0  0.34946562446292273  0.5000548194440411  0.24731867210827252  1.0000