data_image0
_chemical_formula_structural       ZrSZrSBrSZrIZrSBr2
_chemical_formula_sum              "Zr4 S4 Br3 I1"
_cell_length_a       3.770647309986831
_cell_length_b       10.129398339805462
_cell_length_c       20.85719896676178
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.01445343184419

_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  0.7473163703662137  0.12613781394470017  0.5320919794686204  1.0000
  S   S1        1.0  0.24885135527592986  0.6260026030234661  0.44648457232287175  1.0000
  Zr  Zr2       1.0  0.7487531782364484  0.6260545788612231  0.5318871089151964  1.0000
  S   S2        1.0  0.7489775171454172  0.8763714150244746  0.5410656431228429  1.0000
  Br  Br1       1.0  0.7479017860300177  0.3758539853975089  0.35953757001414893  1.0000
  S   S3        1.0  0.7478708802612868  0.3758032132644891  0.5411170547384471  1.0000
  Zr  Zr3       1.0  0.24910790939767824  0.8752689645800481  0.45570869646939116  1.0000
  I   I1        1.0  0.2486444539580694  0.6260590271749576  0.6405298617148715  1.0000
  Zr  Zr4       1.0  0.24795223289655124  0.3767409716502148  0.4557229573813251  1.0000
  S   S4        1.0  0.24745214261791093  0.12600864039535511  0.44663116168849337  1.0000
  Br  Br2       1.0  0.24732749754802633  0.12601115005491098  0.6282922130464826  1.0000
  Br  Br3       1.0  0.7492605380433259  0.8763669147664856  0.3595493416635767  1.0000