data_[Nd8Fe4O16]
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 [C2/m]
_cell_length_a [13.8052]
_cell_length_b [3.7019]
_cell_length_c [10.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2FeO4]
_chemical_formula_sum '[Nd8 Fe4 O16]'
_cell_volume [441.0224]
_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  4  0.1163  0.5000  0.9567  1
  Nd  Nd1  4  0.1550  0.0000  0.3151  1
  Fe  Fe2  4  0.1539  0.0000  0.7140  1
  O  O3  4  0.0495  0.0000  0.7834  1
  O  O4  4  0.0789  0.5000  0.1548  1
  O  O5  4  0.2020  0.0000  0.5700  1
  O  O6  4  0.2500  0.5000  0.8563  1
]