data_[Cs1Sn2Bi1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7968]
_cell_length_b [8.1652]
_cell_length_c [10.5253]
_cell_angle_alpha [75.6865]
_cell_angle_beta [81.2403]
_cell_angle_gamma [80.1219]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn2BiI8]
_chemical_formula_sum '[Cs1 Sn2 Bi1 I8]'
_cell_volume [635.3945]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4629  0.4463  0.7339  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1508  0.7233  0.2384  1.0
  I  I4  2  0.2293  0.7955  0.8073  1.0
  I  I5  2  0.2951  0.2198  0.9855  1.0
  I  I6  2  0.3883  0.2733  0.5348  1.0
]