data_[K2Bi1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.9664]
_cell_length_b [8.1880]
_cell_length_c [8.3781]
_cell_angle_alpha [115.6058]
_cell_angle_beta [92.3752]
_cell_angle_gamma [119.0786]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2BiAuBr6]
_chemical_formula_sum '[K2 Bi1 Au1 Br6]'
_cell_volume [408.1863]
_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
[
  K  K0  1  0.4877  0.9283  0.3807  1.0
  K  K1  1  0.9896  0.9822  0.9437  1.0
  Bi  Bi2  1  0.6904  0.3580  0.0259  1.0
  Au  Au3  1  0.1167  0.3428  0.7338  1.0
  Br  Br4  1  0.0348  0.4542  0.2388  1.0
  Br  Br5  1  0.3042  0.1778  0.7159  1.0
  Br  Br6  1  0.4552  0.2500  0.2430  1.0
  Br  Br7  1  0.5633  0.9150  0.7755  1.0
  Br  Br8  1  0.8026  0.8020  0.2204  1.0
  Br  Br9  1  0.8939  0.4667  0.7375  1.0
]