data_image0
_chemical_formula_structural       SnIBrClCs
_chemical_formula_sum              "Sn1 I1 Br1 Cl1 Cs1"
_cell_length_a       6.250082023477464
_cell_length_b       5.7907102285661525
_cell_length_c       5.481806962606159
_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  0.022881785806712088  0.9956183298278444  0.9964504391570381  1.0000
  I   I1        1.0  0.522464708835372  0.9931119702272376  0.9952267902616652  1.0000
  Br  Br1       1.0  0.013994687416931554  0.49565447077882313  0.9966463432690353  1.0000
  Cl  Cl1       1.0  0.9797306006456459  0.9976550349743436  0.49648331526727923  1.0000
  Cs  Cs1       1.0  0.6192589711615553  0.49359403737479896  0.49648600523389746  1.0000