data_[Na2Tl2Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7336]
_cell_length_b [4.3445]
_cell_length_c [11.6006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlPbSe3]
_chemical_formula_sum '[Na2 Tl2 Pb2 Se6]'
_cell_volume [431.1258]
_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  2  0.1706  0.2500  0.1314  1.0
  Tl  Tl1  2  0.0674  0.2500  0.6301  1.0
  Pb  Pb2  2  0.3567  0.7500  0.8738  1.0
  Se  Se3  2  0.0673  0.2500  0.8544  1.0
  Se  Se4  2  0.2077  0.7500  0.5422  1.0
  Se  Se5  2  0.4014  0.7500  0.1217  1.0
]