data_[Nd12Ge6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5333]
_cell_length_b [7.9328]
_cell_length_c [12.0613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Ge3O]
_chemical_formula_sum '[Nd12 Ge6 O2]'
_cell_volume [529.7862]
_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
[
  Nd  Nd0  4  0.0961  0.0468  0.2353  1
  Nd  Nd1  4  0.1986  0.7054  0.0608  1
  Nd  Nd2  4  0.3866  0.1632  0.0578  1
  Ge  Ge3  4  0.3176  0.1104  0.7476  1
  Ge  Ge4  2  0.5000  0.0000  0.5000  1
  O  O5  2  0.0000  0.0000  0.0000  1
]