data_[Tl8Ge2Te10]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.8476]
_cell_length_b [7.1259]
_cell_length_c [9.6504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl4GeTe5]
_chemical_formula_sum '[Tl8 Ge2 Te10]'
_cell_volume [726.1774]
_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  0.0115  0.6146  0.6912  1
  Tl  Tl1  4  0.2061  0.0070  0.6654  1
  Ge  Ge2  2  0.0000  0.0719  0.0000  1
  Te  Te3  4  0.1838  0.9369  0.9847  1
  Te  Te4  4  0.2118  0.9394  0.3431  1
  Te  Te5  2  0.0000  0.4425  0.0000  1
]