data_image0
_chemical_formula_structural       SBr2Zr2
_chemical_formula_sum              "S1 Br2 Zr2"
_cell_length_a       3.7904154969015575
_cell_length_b       3.7904154991976657
_cell_length_c       21.20384163
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.9999999799614

_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  1.0001381472384878e-20  0.0  0.4999999997641937  1.0000
  Br  Br1       1.0  0.3333333296951758  0.6666666699432842  0.6462480200103249  1.0000
  Br  Br2       1.0  0.666666670124639  0.3333333288789035  0.3537519799896751  1.0000
  Zr  Zr1       1.0  0.3333333296951758  0.6666666699432842  0.4414155106099989  1.0000
  Zr  Zr2       1.0  0.666666670124639  0.3333333288789035  0.5585844893900012  1.0000