data_[K4Tl4Pb4]
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 [P1]
_cell_length_a [7.1428]
_cell_length_b [7.7032]
_cell_length_c [9.4476]
_cell_angle_alpha [69.3893]
_cell_angle_beta [72.2848]
_cell_angle_gamma [82.3140]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KTlPb]
_chemical_formula_sum '[K4 Tl4 Pb4]'
_cell_volume [463.2831]
_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  1  0.2883  0.2572  0.0055  1.0
  K  K1  1  0.3867  0.7408  0.1580  1.0
  K  K2  1  0.5721  0.2044  0.4162  1.0
  K  K3  1  0.7860  0.5517  0.7922  1.0
  Tl  Tl4  1  0.1086  0.9661  0.4469  1.0
  Tl  Tl5  1  0.3243  0.5823  0.5998  1.0
  Tl  Tl6  1  0.7505  0.7515  0.4067  1.0
  Tl  Tl7  1  0.8367  0.0465  0.0599  1.0
  Pb  Pb8  1  0.0546  0.3866  0.4505  1.0
  Pb  Pb9  1  0.1958  0.8703  0.8100  1.0
  Pb  Pb10  1  0.7798  0.0569  0.7393  1.0
  Pb  Pb11  1  0.9167  0.5857  0.1224  1.0
]