data_[K2Tl12Pb12]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.7795]
_cell_length_b [11.2408]
_cell_length_c [11.5866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K(TlPb)6]
_chemical_formula_sum '[K2 Tl12 Pb12]'
_cell_volume [882.9724]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.0000  0.3481  1.0
  Tl  Tl2  4  0.0000  0.3534  0.0000  1.0
  Tl  Tl3  4  0.0000  0.5000  0.3099  1.0
  Pb  Pb4  8  0.2500  0.2500  0.2500  1.0
  Pb  Pb5  4  0.0000  0.2637  0.5000  1.0
]