data_[Na1Tl1Pb2Se4]
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/m]
_cell_length_a [7.3204]
_cell_length_b [4.2960]
_cell_length_c [7.4391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaTl(PbSe2)2]
_chemical_formula_sum '[Na1 Tl1 Pb2 Se4]'
_cell_volume [222.4343]
_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  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  1  0.5000  0.0000  0.5000  1.0
  Pb  Pb3  1  0.5000  0.5000  0.0000  1.0
  Se  Se4  2  0.2439  0.5000  0.2506  1.0
  Se  Se5  2  0.2458  0.0000  0.7532  1.0
]