data_[Cd6Ga4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.3597]
_cell_length_b [6.3066]
_cell_length_c [8.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cd3(GaTe3)2]
_chemical_formula_sum '[Cd6 Ga4 Te12]'
_cell_volume [756.8132]
_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  4  0.1576  0.8282  0.3124  1
  Cd  Cd1  2  0.0000  0.3653  0.5000  1
  Ga  Ga2  4  0.1692  0.8243  0.8426  1
  Te  Te3  4  0.0144  0.5709  0.7892  1
  Te  Te4  4  0.1584  0.1098  0.0610  1
  Te  Te5  4  0.1678  0.0675  0.5920  1
]