data_image0
_chemical_formula_structural       ZrSBrZrBrSZrBrSZrSBr
_chemical_formula_sum              "Zr4 S4 Br4"
_cell_length_a       7.161425386935734
_cell_length_b       7.21166206922783
_cell_length_c       18.75832809354433
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.76983175257875

_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  0.0002430964074066434  0.9987439307195101  0.49991318113405186  1.0000
  S   S1        1.0  0.3323024415684804  0.1686814338081617  0.5778691323631626  1.0000
  Br  Br1       1.0  0.33415875213020785  0.16586605003397648  0.39919519547038274  1.0000
  Zr  Zr2       1.0  0.0002430949868601971  0.49874392879054497  0.5000868186770011  1.0000
  Br  Br2       1.0  0.334158752904764  0.6658660497024764  0.6008048043406704  1.0000
  S   S2        1.0  0.33230244234303663  0.6686814334766616  0.4221308674478904  1.0000
  Zr  Zr3       1.0  0.5002430937280615  0.9987439291220449  0.5000868197431942  1.0000
  Br  Br3       1.0  0.8341587530423353  0.16586605003397648  0.6008048038075738  1.0000
  S   S3        1.0  0.8323024402855053  0.16868143221069656  0.422130867980987  1.0000
  Zr  Zr4       1.0  0.5002430931062476  0.49874392879054497  0.49991318060095535  1.0000
  S   S4        1.0  0.832302440462424  0.6686814334766616  0.5778691323631626  1.0000
  Br  Br4       1.0  0.8341587530181589  0.6658660481050113  0.39919519547038274  1.0000