data_[Na4Tl2Pb1]
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 [P2/m]
_cell_length_a [8.0965]
_cell_length_b [3.5490]
_cell_length_c [8.4341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na4Tl2Pb]
_chemical_formula_sum '[Na4 Tl2 Pb1]'
_cell_volume [217.5759]
_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  2  0.1487  0.5000  0.2512  1.0
  Na  Na1  2  0.2774  0.0000  0.9384  1.0
  Tl  Tl2  2  0.4244  0.5000  0.6723  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
]