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  0.00024309624354084764  0.998743929927536  0.49991318093733017  1.0000
  S   S1        1.0  0.33230244186844615  0.16868143430394308  0.5778691325830105  1.0000
  Br  Br1       1.0  0.3341587524131127  0.16586604980338043  0.39919519524827296  1.0000
  Zr  Zr2       1.0  0.00024309516990839473  0.4987439293354563  0.5000868188755475  1.0000
  Br  Br2       1.0  0.3341587524708997  0.6658660501689946  0.6008048041561157  1.0000
  S   S2        1.0  0.3323024421235365  0.6686814337856938  0.42213086765171653  1.0000
  Zr  Zr3       1.0  0.5002430933010226  0.9987439293833533  0.5000868195866102  1.0000
  Br  Br3       1.0  0.8341587527884456  0.16586604957245632  0.6008048039384257  1.0000
  S   S3        1.0  0.832302440676576  0.1686814326890467  0.4221308678378095  1.0000
  Zr  Zr4       1.0  0.5002430933765908  0.49874392863494904  0.4999131803464669  1.0000
  S   S4        1.0  0.8323024403684168  0.6686814336516608  0.5778691320969915  1.0000
  Br  Br4       1.0  0.834158752912422  0.6658660488314189  0.39919519569106343  1.0000