data_[Cd8Ge4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2166]
_cell_length_b [14.4831]
_cell_length_c [11.1717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cd2GeTe3]
_chemical_formula_sum '[Cd8 Ge4 Te12]'
_cell_volume [682.2480]
_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  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.0000  0.4867  0.2500  1
  Ge  Ge2  4  0.0000  0.2192  0.7500  1
  Te  Te3  8  0.0000  0.3518  0.0666  1
  Te  Te4  4  0.0000  0.1171  0.2500  1
]