data_[Cd2Ge2Se2O12]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [4.9575]
_cell_length_b [4.9575]
_cell_length_c [9.9164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [CdGeSeO6]
_chemical_formula_sum '[Cd2 Ge2 Se2 O12]'
_cell_volume [211.0595]
_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  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  2  0.3333  0.6667  0.2500  1.0
  Se  Se2  2  0.3333  0.6667  0.7500  1.0
  O  O3  12  0.0123  0.3819  0.6446  1.0
]