data_[K12Al8Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8002]
_cell_length_b [12.0174]
_cell_length_c [8.2126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(AlBi2)2]
_chemical_formula_sum '[K12 Al8 Bi16]'
_cell_volume [1399.3603]
_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  8  0.1328  0.1185  0.5590  1.0
  K  K1  4  0.0000  0.4125  0.2500  1.0
  Al  Al2  8  0.2074  0.3885  0.0130  1.0
  Bi  Bi3  8  0.1191  0.1863  0.0401  1.0
  Bi  Bi4  8  0.1890  0.4054  0.6651  1.0
]