data_[Cd3Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [5.3539]
_cell_length_b [5.3539]
_cell_length_c [19.6510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [CdTe]
_chemical_formula_sum '[Cd3 Te3]'
_cell_volume [487.8185]
_cell_formula_units_Z [3]
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  3  0.0000  0.5996  0.5952  1
  Te  Te1  2  0.3333  0.6667  0.3585  1
  Te  Te2  1  0.0000  0.0000  0.4972  1
]