data_[K4Cu2Bi2Br12]
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 [P2_1/c]
_cell_length_a [7.8873]
_cell_length_b [8.2576]
_cell_length_c [12.6972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CuBiBr6]
_chemical_formula_sum '[K4 Cu2 Bi2 Br12]'
_cell_volume [664.6490]
_cell_formula_units_Z [2]
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  0.2710  0.0769  0.2521  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1261  0.0245  0.7241  1.0
  Br  Br4  4  0.2545  0.6970  0.5519  1.0
  Br  Br5  4  0.3489  0.2081  0.5455  1.0
]