data_[Na8Tl8Pb6]
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 [Amm2]
_cell_length_a [10.4280]
_cell_length_b [5.3513]
_cell_length_c [11.9900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na4Tl4Pb3]
_chemical_formula_sum '[Na8 Tl8 Pb6]'
_cell_volume [669.0801]
_cell_formula_units_Z [2]
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  0.2265  0.0000  0.7494  1.0
  Na  Na1  2  0.0000  0.0000  0.9394  1.0
  Na  Na2  2  0.5000  0.0000  0.8965  1.0
  Tl  Tl3  4  0.2870  0.0000  0.0990  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5741  1.0
  Tl  Tl5  2  0.5000  0.0000  0.6087  1.0
  Pb  Pb6  4  0.2673  0.0000  0.4153  1.0
  Pb  Pb7  2  0.0000  0.0000  0.2525  1.0
]