data_[Na7Tl3Pb1]
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 [P3m1]
_cell_length_a [7.2852]
_cell_length_b [7.2852]
_cell_length_c [8.0123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na7Tl3Pb]
_chemical_formula_sum '[Na7 Tl3 Pb1]'
_cell_volume [368.2795]
_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  0.1686  0.3372  0.1029  1.0
  Na  Na1  3  0.3306  0.1653  0.4741  1.0
  Na  Na2  1  0.6667  0.3333  0.0921  1.0
  Tl  Tl3  3  0.0102  0.5051  0.7792  1.0
  Pb  Pb4  1  0.3333  0.6667  0.4545  1.0
]