data_image0
_chemical_formula_structural       S2Zr2IBr
_chemical_formula_sum              "S2 Zr2 I1 Br1"
_cell_length_a       6.681475490918137
_cell_length_b       3.8302310036571785
_cell_length_c       18.285333510527163
_cell_angle_alpha    90.0
_cell_angle_beta     89.99999999999999
_cell_angle_gamma    89.99966007247032

_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
  S   S1        1.0  0.5979943136609698  0.3222201394158741  0.5787343858895201  1.0000
  S   S2        1.0  0.4062610822106562  0.8221921754892814  0.410029253537189  1.0000
  Zr  Zr1       1.0  0.6997838240218377  0.8222220126392344  0.5006873642599509  1.0000
  Zr  Zr2       1.0  0.3087890600520348  0.3222088111215155  0.4879929318687471  1.0000
  I   I1        1.0  0.08858063722382693  0.8221968950644748  0.5901409653691846  1.0000
  Br  Br1       1.0  0.9198718466604978  0.32222596839326345  0.4145538617403901  1.0000