data_[Tl8Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [10.2474]
_cell_length_b [8.5042]
_cell_length_c [7.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2PbSe2]
_chemical_formula_sum '[Tl8 Pb4 Se8]'
_cell_volume [690.7974]
_cell_formula_units_Z [4]
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  0.0581  0.7477  0.0356  1
  Tl  Tl1  4  0.3240  0.1969  0.4884  1
  Pb  Pb2  4  0.3473  0.6289  0.3666  1
  Se  Se3  4  0.1220  0.0850  0.7470  1
  Se  Se4  4  0.4302  0.5449  0.7164  1
]