data_image0
_chemical_formula_structural       SnI2ClCs
_chemical_formula_sum              "Sn1 I2 Cl1 Cs1"
_cell_length_a       6.184497605222069
_cell_length_b       6.184497605222069
_cell_length_c       5.452509442903363
_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  0.007209125700160726  0.007209125700160725  0.999361223360747  1.0000
  I   I1        1.0  0.5062351810641411  0.0025395290133015114  0.998853432978487  1.0000
  I   I2        1.0  0.0025395290133015283  0.5062351810641418  0.998853432978487  1.0000
  Cl  Cl1       1.0  0.9993310325903959  0.9993310325903959  0.4929213589789884  1.0000
  Cs  Cs1       1.0  0.513799348866878  0.5137993488668782  0.493358128304576  1.0000