data_[Cs1Cu1Bi2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  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 [6.8177]
_cell_length_b [8.4073]
_cell_length_c [8.9120]
_cell_angle_alpha [102.4909]
_cell_angle_beta [112.3889]
_cell_angle_gamma [90.7330]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCu(BiCl4)2]
_chemical_formula_sum '[Cs1 Cu1 Bi2 Cl8]'
_cell_volume [458.5632]
_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  0.5000  0.0000  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.4952  0.2399  0.4728  1.0
  Cl  Cl3  2  0.0466  0.1880  0.2126  1.0
  Cl  Cl4  2  0.1027  0.7277  0.3975  1.0
  Cl  Cl5  2  0.4679  0.5070  0.6941  1.0
  Cl  Cl6  2  0.4748  0.0818  0.6973  1.0
]