data_[Cs1Sn2Bi1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5884]
_cell_length_b [7.0466]
_cell_length_c [9.5842]
_cell_angle_alpha [84.2651]
_cell_angle_beta [86.8766]
_cell_angle_gamma [86.6829]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn2BiCl8]
_chemical_formula_sum '[Cs1 Sn2 Bi1 Cl8]'
_cell_volume [441.4572]
_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  0.4783  0.4787  0.7579  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2316  0.8244  0.8011  1.0
  Cl  Cl4  2  0.2357  0.3184  0.9613  1.0
  Cl  Cl5  2  0.2595  0.8582  0.2038  1.0
  Cl  Cl6  2  0.2713  0.3866  0.5644  1.0
]