data_[Tl2Si2Bi2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8448]
_cell_length_b [7.0709]
_cell_length_c [8.9736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSiBiSe4]
_chemical_formula_sum '[Tl2 Si2 Bi2 Se8]'
_cell_volume [414.1012]
_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  0.2455  0.2500  0.0640  1.0
  Si  Si1  2  0.2196  0.7500  0.3204  1.0
  Bi  Bi2  2  0.2399  0.2500  0.5504  1.0
  Se  Se3  4  0.0025  0.5023  0.7241  1.0
  Se  Se4  2  0.4191  0.7500  0.5760  1.0
  Se  Se5  2  0.4193  0.7500  0.1589  1.0
]