data_[Na8Tl12Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4001]
_cell_length_b [11.3409]
_cell_length_c [16.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2(TlPb)3]
_chemical_formula_sum '[Na8 Tl12 Pb12]'
_cell_volume [1009.3132]
_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
[
  Na  Na0  8  0.0000  0.2241  0.1334  1.0
  Tl  Tl1  8  0.0000  0.3764  0.5495  1.0
  Tl  Tl2  4  0.0000  0.4736  0.2500  1.0
  Pb  Pb3  8  0.0000  0.0762  0.5845  1.0
  Pb  Pb4  4  0.0000  0.2322  0.7500  1.0
]