data_[Tl2Ge2Bi2Se8]
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 [6.9276]
_cell_length_b [7.1428]
_cell_length_c [8.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlGeBiSe4]
_chemical_formula_sum '[Tl2 Ge2 Bi2 Se8]'
_cell_volume [423.5855]
_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  0.2443  0.2500  0.0637  1.0
  Ge  Ge1  2  0.2246  0.7500  0.3193  1.0
  Bi  Bi2  2  0.2347  0.2500  0.5507  1.0
  Se  Se3  4  0.0067  0.5080  0.7246  1.0
  Se  Se4  2  0.4330  0.7500  0.1538  1.0
  Se  Se5  2  0.4330  0.7500  0.5841  1.0
]