data_[Ni4Ge4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7537]
_cell_length_b [2.7835]
_cell_length_c [8.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiGeO3]
_chemical_formula_sum '[Ni4 Ge4 O12]'
_cell_volume [241.9537]
_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
[
  Ni  Ni0  4  0.1746  0.5000  0.8678  1
  Ge  Ge1  4  0.0792  0.5000  0.2846  1
  O  O2  4  0.0382  0.0000  0.8024  1
  O  O3  4  0.1316  0.0000  0.4132  1
  O  O4  4  0.1916  0.5000  0.1194  1
]