data_[Ba2Nd2Fe4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Pmma]
_cell_length_a [8.0260]
_cell_length_b [4.0273]
_cell_length_c [7.8381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [BaNdFe2O5]
_chemical_formula_sum '[Ba2 Nd2 Fe4 O10]'
_cell_volume [253.3531]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.2500  0.5000  0.2721  1.0
  Fe  Fe3  2  0.2500  0.5000  0.7440  1.0
  O  O4  4  0.0065  0.5000  0.6910  1.0
  O  O5  2  0.2500  0.0000  0.3080  1.0
  O  O6  2  0.2500  0.0000  0.6925  1.0
  O  O7  2  0.2500  0.5000  0.9878  1.0
]