data_[Na5Tl3Pb3]
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 [P-62m]
_cell_length_a [11.1564]
_cell_length_b [11.1564]
_cell_length_c [3.3729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Na5(TlPb)3]
_chemical_formula_sum '[Na5 Tl3 Pb3]'
_cell_volume [363.5674]
_cell_formula_units_Z [1]
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  3  0.0000  0.3320  0.5000  1
  Na  Na1  2  0.3333  0.6667  0.5000  1
  Tl  Tl2  3  0.0000  0.5788  0.0000  1
  Pb  Pb3  3  0.0000  0.8276  0.5000  1
]