data_[Nd12Fe4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.2722]
_cell_length_b [11.6110]
_cell_length_c [5.6746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3FeO6]
_chemical_formula_sum '[Nd12 Fe4 O24]'
_cell_volume [610.9212]
_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
[
  Nd  Nd0  8  0.1931  0.3939  0.4677  1.0
  Nd  Nd1  4  0.0000  0.1039  0.4228  1.0
  Fe  Fe2  4  0.0000  0.3096  0.9995  1.0
  O  O3  8  0.1554  0.2400  0.1704  1.0
  O  O4  8  0.1597  0.0134  0.6961  1.0
  O  O5  4  0.0000  0.2833  0.6670  1.0
  O  O6  4  0.0000  0.4607  0.1420  1.0
]