data_[K6Bi8]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [12.9306]
_cell_length_b [12.9306]
_cell_length_c [17.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [K3Bi4]
_chemical_formula_sum '[K6 Bi8]'
_cell_volume [2496.4310]
_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  6  0.1680  0.3360  0.4744  1
  Bi  Bi1  6  0.1461  0.5731  0.5517  1
  Bi  Bi2  2  0.3333  0.6667  0.4217  1
]