data_[Cs1Ge2Bi1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  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 [6.4740]
_cell_length_b [7.1425]
_cell_length_c [9.8856]
_cell_angle_alpha [92.7901]
_cell_angle_beta [92.9133]
_cell_angle_gamma [97.0734]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsGe2BiCl8]
_chemical_formula_sum '[Cs1 Ge2 Bi1 Cl8]'
_cell_volume [452.3455]
_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
  Ge  Ge1  2  0.4462  0.5623  0.8005  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2133  0.1988  0.8146  1.0
  Cl  Cl4  2  0.2262  0.6959  0.9626  1.0
  Cl  Cl5  2  0.2719  0.6174  0.6032  1.0
  Cl  Cl6  2  0.2850  0.1301  0.2104  1.0
]