data_[Cd2Cu6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.4020]
_cell_length_b [9.2950]
_cell_length_c [18.3864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd(CuTe)3]
_chemical_formula_sum '[Cd2 Cu6 Te6]'
_cell_volume [923.2072]
_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
[
  Cd  Cd0  2  0.2990  0.5000  0.4352  1
  Cu  Cu1  4  0.0403  0.2486  0.5438  1
  Cu  Cu2  2  0.2895  0.0000  0.5428  1
  Te  Te3  4  0.2995  0.1678  0.4167  1
  Te  Te4  2  0.2958  0.5000  0.6009  1
]