data_[Na12Tl24Pb4]
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 [Cmc2_1]
_cell_length_a [10.3541]
_cell_length_b [15.4527]
_cell_length_c [8.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na3Tl6Pb]
_chemical_formula_sum '[Na12 Tl24 Pb4]'
_cell_volume [1288.5220]
_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  0.2034  0.0764  0.9741  1.0
  Na  Na1  4  0.0000  0.3836  0.7003  1.0
  Tl  Tl2  8  0.1615  0.4106  0.1077  1.0
  Tl  Tl3  8  0.2065  0.2293  0.3370  1.0
  Tl  Tl4  4  0.0000  0.0560  0.2865  1.0
  Tl  Tl5  4  0.0000  0.2340  0.0191  1.0
  Pb  Pb6  4  0.0000  0.1467  0.6418  1.0
]