data_[Tl2Cd2Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4146]
_cell_length_b [4.5827]
_cell_length_c [10.4316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCdBiTe3]
_chemical_formula_sum '[Tl2 Cd2 Bi2 Te6]'
_cell_volume [437.2735]
_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  0.1974  0.2500  0.2338  1.0
  Cd  Cd1  2  0.0847  0.2500  0.6050  1.0
  Bi  Bi2  2  0.3295  0.7500  0.8692  1.0
  Te  Te3  2  0.1015  0.2500  0.8827  1.0
  Te  Te4  2  0.2322  0.7500  0.5272  1.0
  Te  Te5  2  0.4427  0.7500  0.1634  1.0
]