data_[K8Tl16Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.5376]
_cell_length_b [19.2810]
_cell_length_c [10.5764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [K2Tl4Bi3]
_chemical_formula_sum '[K8 Tl16 Bi12]'
_cell_volume [1333.1774]
_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  0.0000  0.1029  0.5922  1.0
  Tl  Tl1  8  0.0000  0.1790  0.9871  1.0
  Tl  Tl2  8  0.2500  0.0649  0.2500  1.0
  Bi  Bi3  8  0.2500  0.2362  0.2500  1.0
  Bi  Bi4  4  0.0000  0.0000  0.0000  1.0
]