data_[Tl4Ge2Bi2Se8]
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 [Pmn2_1]
_cell_length_a [9.1854]
_cell_length_b [9.6504]
_cell_length_c [6.3411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2GeBiSe4]
_chemical_formula_sum '[Tl4 Ge2 Bi2 Se8]'
_cell_volume [562.0951]
_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  0.2360  0.3520  0.0695  1
  Ge  Ge1  2  0.0000  0.8525  0.9892  1
  Bi  Bi2  2  0.0000  0.1413  0.5240  1
  Se  Se3  4  0.2230  0.7225  0.0839  1
  Se  Se4  2  0.0000  0.1072  0.0813  1
  Se  Se5  2  0.0000  0.8469  0.5988  1
]