data_[Cd2Ge1Te1O6]
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 [P4mm]
_cell_length_a [5.5109]
_cell_length_b [5.5109]
_cell_length_c [4.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Cd2GeTeO6]
_chemical_formula_sum '[Cd2 Ge1 Te1 O6]'
_cell_volume [146.8749]
_cell_formula_units_Z [1]
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  0.5000  0.9885  1
  Ge  Ge1  1  0.0000  0.0000  0.5872  1
  Te  Te2  1  0.5000  0.5000  0.5985  1
  O  O3  4  0.2329  0.2329  0.7146  1
  O  O4  1  0.0000  0.0000  0.2237  1
  O  O5  1  0.5000  0.5000  0.2021  1
]