data_[Tl4Cd2Ge2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.8598]
_cell_length_b [10.2441]
_cell_length_c [7.1228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2CdGeTe4]
_chemical_formula_sum '[Tl4 Cd2 Ge2 Te8]'
_cell_volume [646.4750]
_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  0.2176  0.3396  0.0547  1.0
  Cd  Cd1  2  0.0000  0.1216  0.5049  1.0
  Ge  Ge2  2  0.0000  0.8428  0.9881  1.0
  Te  Te3  4  0.2425  0.7088  0.0878  1.0
  Te  Te4  2  0.0000  0.0834  0.1022  1.0
  Te  Te5  2  0.0000  0.8532  0.6197  1.0
]