data_[Tl2Cd2In2Te6]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8128]
_cell_length_b [4.3946]
_cell_length_c [11.3509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCdInTe3]
_chemical_formula_sum '[Tl2 Cd2 In2 Te6]'
_cell_volume [427.7321]
_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  0.2480  0.2500  0.2513  1.0
  Cd  Cd1  2  0.3280  0.7500  0.9193  1.0
  In  In2  2  0.0955  0.2500  0.6352  1.0
  Te  Te3  2  0.0780  0.2500  0.8759  1.0
  Te  Te4  2  0.2230  0.7500  0.5249  1.0
  Te  Te5  2  0.4815  0.7500  0.1712  1.0
]