data_[K4Cu4Bi4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/c]
_cell_length_a [9.3178]
_cell_length_b [12.6287]
_cell_length_c [10.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCuBiBr5]
_chemical_formula_sum '[K4 Cu4 Bi4 Br20]'
_cell_volume [1146.1765]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.3584  0.7500  1.0
  Cu  Cu1  4  0.0000  0.3091  0.2500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1174  0.2065  0.1190  1.0
  Br  Br4  8  0.1793  0.4293  0.4299  1.0
  Br  Br5  4  0.0000  0.0929  0.7500  1.0
]