data_[K12Tl16Pb8]
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 [C2/c]
_cell_length_a [15.6169]
_cell_length_b [11.6340]
_cell_length_c [7.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(Tl2Pb)2]
_chemical_formula_sum '[K12 Tl16 Pb8]'
_cell_volume [1412.4371]
_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  0.1211  0.1003  0.6741  1.0
  K  K1  4  0.0000  0.4974  0.2500  1.0
  Tl  Tl2  8  0.1069  0.2138  0.1965  1.0
  Tl  Tl3  8  0.1923  0.3710  0.5391  1.0
  Pb  Pb4  8  0.2001  0.3656  0.9388  1.0
]