data_[K12Al4Bi12]
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/m]
_cell_length_a [10.4201]
_cell_length_b [10.9960]
_cell_length_c [9.6755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3AlBi3]
_chemical_formula_sum '[K12 Al4 Bi12]'
_cell_volume [1104.4069]
_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  4  0.0000  0.1605  0.5000  1.0
  K  K1  4  0.0000  0.2892  0.0000  1.0
  K  K2  4  0.1144  0.5000  0.3668  1.0
  Al  Al3  4  0.1213  0.0000  0.1293  1.0
  Bi  Bi4  8  0.2097  0.3525  0.7082  1.0
  Bi  Bi5  4  0.1424  0.0000  0.8452  1.0
]