data_[Cd8Te4]
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 [C2/m]
_cell_length_a [13.5448]
_cell_length_b [3.1135]
_cell_length_c [8.6889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Te]
_chemical_formula_sum '[Cd8 Te4]'
_cell_volume [325.0287]
_cell_formula_units_Z [4]
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  4  0.1245  0.0000  0.5923  1
  Cd  Cd1  4  0.1369  0.5000  0.9127  1
  Te  Te2  4  0.1214  0.5000  0.2558  1
]