data_[Na2Tl2Pb2]
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 [P1]
_cell_length_a [4.8220]
_cell_length_b [6.0675]
_cell_length_c [7.1460]
_cell_angle_alpha [110.0965]
_cell_angle_beta [91.0847]
_cell_angle_gamma [110.9227]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTlPb]
_chemical_formula_sum '[Na2 Tl2 Pb2]'
_cell_volume [180.9926]
_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  1  0.3814  0.6837  0.7979  1.0
  Na  Na1  1  0.7145  0.3530  0.9827  1.0
  Tl  Tl2  1  0.0510  0.0120  0.6421  1.0
  Tl  Tl3  1  0.3816  0.6823  0.2959  1.0
  Pb  Pb4  1  0.0486  0.0293  0.1559  1.0
  Pb  Pb5  1  0.7041  0.3348  0.4774  1.0
]