data_image0
_chemical_formula_structural       SnI3Cs
_chemical_formula_sum              "Sn1 I3 Cs1"
_cell_length_a       6.138572088999898
_cell_length_b       6.138572088999898
_cell_length_c       6.138572088999898
_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  0.00745943784540712  0.007459437845407151  0.0074594378454071394  1.0000
  I   I1        1.0  0.5052459315323152  0.0015544854729146755  0.0015544854729146738  1.0000
  I   I2        1.0  0.0015544854729146653  0.5052459315323156  0.0015544854729146653  1.0000
  I   I3        1.0  0.001554485472914672  0.0015544854729146755  0.5052459315323156  1.0000
  Cs  Cs1       1.0  0.5146479107999833  0.5146479107999836  0.5146479107999837  1.0000