data_image0
_chemical_formula_structural       S4Br4Zr2
_chemical_formula_sum              "S4 Br4 Zr2"
_cell_length_a       6.866476628630462
_cell_length_b       6.9759790310848535
_cell_length_c       18.99308469
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.4820896157825

_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  0.9764459332816925  0.0  0.39516263063638246  1.0000
  S   S2        1.0  0.023554077112217332  0.0  0.6048373593599766  1.0000
  S   S3        1.0  0.7366769718415116  0.0  0.4614853302167843  1.0000
  S   S4        1.0  0.2633230385523982  0.0  0.5385146697832157  1.0000
  Br  Br1       1.0  0.8926928195253476  0.41779015334772046  0.5849914277405353  1.0000
  Br  Br2       1.0  0.10730718115357543  0.5822098376162157  0.41500857225946486  1.0000
  Br  Br3       1.0  0.5250973447874069  0.417790163228075  0.4150085822631058  1.0000
  Br  Br4       1.0  0.4749026564626403  0.5822098376162157  0.5849914277405353  1.0000
  Zr  Zr1       1.0  0.8589262355167409  0.7178524722903799  0.4999999997367463  1.0000
  Zr  Zr2       1.0  0.14107375408249853  0.28214752855391084  0.4999999997367463  1.0000