data_[Tl2Ag2Pb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.5031]
_cell_length_b [5.5540]
_cell_length_c [8.2286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TlAgPbSe2]
_chemical_formula_sum '[Tl2 Ag2 Pb2 Se4]'
_cell_volume [321.7773]
_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
[
  Tl  Tl0  2  0.5000  0.1890  0.7500  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.4254  0.2500  1.0
  Se  Se3  4  0.2622  0.2887  0.0193  1.0
]