data_[Cs1Cu1Bi2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6116]
_cell_length_b [8.6900]
_cell_length_c [9.1796]
_cell_angle_alpha [75.9921]
_cell_angle_beta [69.2626]
_cell_angle_gamma [87.0653]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCu(BiBr4)2]
_chemical_formula_sum '[Cs1 Cu1 Bi2 Br8]'
_cell_volume [550.5613]
_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  0.0246  0.7596  0.4744  1.0
  Br  Br3  2  0.1764  0.1797  0.7808  1.0
  Br  Br4  2  0.2106  0.0763  0.2950  1.0
  Br  Br5  2  0.2193  0.5075  0.3040  1.0
  Br  Br6  2  0.2908  0.7169  0.6100  1.0
]