data_[Na12Tl12Pb4]
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 [P2_1/c]
_cell_length_a [8.7669]
_cell_length_b [10.5509]
_cell_length_c [12.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3Tl3Pb]
_chemical_formula_sum '[Na12 Tl12 Pb4]'
_cell_volume [860.1597]
_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  4  0.1069  0.7471  0.3068  1
  Na  Na1  4  0.3823  0.0689  0.3092  1
  Na  Na2  4  0.3872  0.0724  0.8162  1
  Tl  Tl3  4  0.1072  0.0170  0.4276  1
  Tl  Tl4  4  0.1753  0.7481  0.0877  1
  Tl  Tl5  4  0.4188  0.2455  0.5700  1
  Pb  Pb6  4  0.1104  0.0241  0.9327  1
]