data_[Tl2Cd2Ge2Te6]
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 [P2_1/m]
_cell_length_a [9.3961]
_cell_length_b [4.1100]
_cell_length_c [10.6475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCdGeTe3]
_chemical_formula_sum '[Tl2 Cd2 Ge2 Te6]'
_cell_volume [398.2241]
_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  0.1992  0.7500  0.2347  1
  Cd  Cd1  2  0.0827  0.7500  0.6196  1
  Ge  Ge2  2  0.3388  0.2500  0.9046  1
  Te  Te3  2  0.1148  0.7500  0.8922  1
  Te  Te4  2  0.2319  0.2500  0.5138  1
  Te  Te5  2  0.4665  0.2500  0.1645  1
]