data_image0
_chemical_formula_structural       S2ZrSBrZrBr
_chemical_formula_sum              "S3 Zr2 Br2"
_cell_length_a       4.799120347346343
_cell_length_b       4.797486407925022
_cell_length_c       21.72304227888452
_cell_angle_alpha    90.0
_cell_angle_beta     89.99999999999999
_cell_angle_gamma    100.85364571648053

_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  0.763696450493035  0.8289557636427666  0.4392688035776962  1.0000
  S   S2        1.0  0.08778570143133536  0.41217566042167963  0.4998601593167403  1.0000
  Zr  Zr1       1.0  0.9801929263427727  0.8960390311739339  0.5475544237203174  1.0000
  S   S3        1.0  0.5049871305288788  0.08824668009956292  0.5608333249158775  1.0000
  Br  Br1       1.0  0.3744402438811395  0.23769191171253198  0.3452555081242113  1.0000
  Zr  Zr2       1.0  0.571445800108363  0.3039932733784824  0.4524464527365617  1.0000
  Br  Br2       1.0  0.9143427934823083  0.6987845111673807  0.6547444918757886  1.0000