data_[K24Bi16]
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 [Fdd2]
_cell_length_a [12.9182]
_cell_length_b [20.4335]
_cell_length_c [6.2235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [K3Bi2]
_chemical_formula_sum '[K24 Bi16]'
_cell_volume [1642.7943]
_cell_formula_units_Z [8]
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  16  0.0381  0.3959  0.0775  1.0
  K  K1  8  0.0000  0.0000  0.0777  1.0
  Bi  Bi2  16  0.0170  0.2789  0.6337  1.0
]