data_[Cd8Ge8Te8O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [8.1904]
_cell_length_b [8.7091]
_cell_length_c [10.3673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [CdGeTeO]
_chemical_formula_sum '[Cd8 Ge8 Te8 O8]'
_cell_volume [739.5118]
_cell_formula_units_Z [8]
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  8  0.2199  0.1560  0.2373  1
  Ge  Ge1  8  0.0085  0.7465  0.5221  1
  Te  Te2  8  0.2470  0.0010  0.9865  1
  O  O3  8  0.0245  0.7402  0.2008  1
]