data_image0
_chemical_formula_structural       SnICl2Cs
_chemical_formula_sum              "Sn1 I1 Cl2 Cs1"
_cell_length_a       6.27823232543367
_cell_length_b       5.515721038703334
_cell_length_c       5.515721038703332
_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  0.03219621196894239  0.9980468077320069  0.9980468077320068  1.0000
  I   I1        1.0  0.5318468713631924  0.9951152396060617  0.9951152396060615  1.0000
  Cl  Cl1       1.0  0.9971890035046019  0.4958777200194165  0.999335817041356  1.0000
  Cl  Cl2       1.0  0.9971890035046018  0.999335817041356  0.4958777200194161  1.0000
  Cs  Cs1       1.0  0.6414865911289964  0.4963406389080311  0.49634063890802893  1.0000