data_[K2Bi6Au2]
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 [Pmn2_1]
_cell_length_a [7.0865]
_cell_length_b [6.7929]
_cell_length_c [6.8298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KBi3Au]
_chemical_formula_sum '[K2 Bi6 Au2]'
_cell_volume [328.7732]
_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  2  0.0000  0.2770  0.5416  1.0
  Bi  Bi1  4  0.2446  0.2179  0.0360  1.0
  Bi  Bi2  2  0.0000  0.6083  0.1531  1.0
  Au  Au3  2  0.0000  0.9087  0.8551  1.0
]