data_[K6Bi16Au6]
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 [Immm]
_cell_length_a [5.1669]
_cell_length_b [11.9734]
_cell_length_c [15.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3Bi8Au3]
_chemical_formula_sum '[K6 Bi16 Au6]'
_cell_volume [934.1573]
_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  0.0000  0.0000  0.1613  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  8  0.0000  0.2870  0.3878  1.0
  Bi  Bi3  8  0.0000  0.3654  0.1739  1.0
  Au  Au4  4  0.0000  0.2473  0.0000  1.0
  Au  Au5  2  0.0000  0.5000  0.5000  1.0
]