data_[Tl4Sn4Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4156]
_cell_length_b [4.2203]
_cell_length_c [8.7616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Sn2PbSe4]
_chemical_formula_sum '[Tl4 Sn4 Pb2 Se8]'
_cell_volume [564.7234]
_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  4  0.1074  0.0000  0.7004  1.0
  Sn  Sn1  4  0.2033  0.5000  0.3375  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0380  0.5000  0.2914  1.0
  Se  Se4  4  0.1976  0.0000  0.1207  1.0
]