data_[Hf6Ge2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.0039]
_cell_length_b [5.0039]
_cell_length_c [10.4752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Hf3GeO8]
_chemical_formula_sum '[Hf6 Ge2 O16]'
_cell_volume [262.2897]
_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
[
  Hf  Hf0  4  0.0000  0.5000  0.2500  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1988  0.1988  0.3410  1.0
  O  O4  8  0.2155  0.2155  0.0895  1.0
]