data_[Tl2Ge2Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  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 [9.5710]
_cell_length_b [4.0521]
_cell_length_c [9.7606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGeBiSe3]
_chemical_formula_sum '[Tl2 Ge2 Bi2 Se6]'
_cell_volume [367.4880]
_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  0.1861  0.2500  0.2208  1.0
  Ge  Ge1  2  0.1148  0.2500  0.5406  1.0
  Bi  Bi2  2  0.3595  0.7500  0.8372  1.0
  Se  Se3  2  0.1300  0.2500  0.8038  1.0
  Se  Se4  2  0.2903  0.7500  0.5235  1.0
  Se  Se5  2  0.4125  0.7500  0.1434  1.0
]