data_[Na1Tl1Pb6]
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 [P-6m2]
_cell_length_a [6.9554]
_cell_length_b [6.9554]
_cell_length_c [5.9739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NaTlPb6]
_chemical_formula_sum '[Na1 Tl1 Pb6]'
_cell_volume [250.2867]
_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  0.6667  0.3333  0.0000  1.0
  Tl  Tl1  1  0.3333  0.6667  0.5000  1.0
  Pb  Pb2  3  0.1647  0.3295  0.0000  1.0
  Pb  Pb3  3  0.3299  0.1650  0.5000  1.0
]