data_[K4Bi4Au4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7646]
_cell_length_b [4.4685]
_cell_length_c [8.9686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KBiAu]
_chemical_formula_sum '[K4 Bi4 Au4]'
_cell_volume [419.4081]
_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  2  0.0581  0.0000  0.0008  1
  K  K1  2  0.4572  0.5000  0.3529  1
  Bi  Bi2  2  0.2016  0.5000  0.8259  1
  Bi  Bi3  2  0.2503  0.5000  0.4794  1
  Au  Au4  2  0.2606  0.0000  0.7019  1
  Au  Au5  2  0.4371  0.0000  0.6210  1
]