data_image0
_chemical_formula_structural       SnI2BrCs
_chemical_formula_sum              "Sn1 I2 Br1 Cs1"
_cell_length_a       6.159537192204862
_cell_length_b       6.159537192204862
_cell_length_c       5.734379940146514
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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
  Sn  Sn1       1.0  0.0070853707712635544  0.007085370771263524  0.0001996149677594035  1.0000
  I   I1        1.0  0.5074757041903754  0.0018830690552567601  5.84460237093008e-05  1.0000
  I   I2        1.0  0.0018830690552567742  0.5074757041903751  5.8446023709304e-05  1.0000
  Br  Br1       1.0  0.9999822738861673  0.9999822738861673  0.4948632841926797  1.0000
  Cs  Cs1       1.0  0.5160634408973579  0.5160634408973575  0.4949824805504123  1.0000