data_[Na2Tl3Pb4]
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 [3.5127]
_cell_length_b [3.5127]
_cell_length_c [26.0551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na2Tl3Pb4]
_chemical_formula_sum '[Na2 Tl3 Pb4]'
_cell_volume [278.4158]
_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  1  0.0000  0.0000  0.1239  1.0
  Na  Na1  1  0.0000  0.0000  0.9151  1.0
  Tl  Tl2  1  0.0000  0.0000  0.3397  1.0
  Tl  Tl3  1  0.3333  0.6667  0.0191  1.0
  Tl  Tl4  1  0.3333  0.6667  0.6819  1.0
  Pb  Pb5  1  0.0000  0.0000  0.5665  1.0
  Pb  Pb6  1  0.0000  0.0000  0.7918  1.0
  Pb  Pb7  1  0.3333  0.6667  0.2297  1.0
  Pb  Pb8  1  0.3333  0.6667  0.4551  1.0
]