data_[Nd2Fe1Ge1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.3161]
_cell_length_b [5.3161]
_cell_length_c [4.7128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Nd2FeGeO6]
_chemical_formula_sum '[Nd2 Fe1 Ge1 O6]'
_cell_volume [133.1890]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.0273  1
  Fe  Fe1  1  0.5000  0.5000  0.5839  1
  Ge  Ge2  1  0.0000  0.0000  0.5945  1
  O  O3  4  0.2378  0.2378  0.7124  1
  O  O4  1  0.0000  0.0000  0.2115  1
  O  O5  1  0.5000  0.5000  0.1529  1
]