data_[Nd1Fe2Sb1O6]
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
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5090]
_cell_length_b [5.5114]
_cell_length_c [5.8387]
_cell_angle_alpha [61.9605]
_cell_angle_beta [62.5154]
_cell_angle_gamma [60.2293]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdFe2SbO6]
_chemical_formula_sum '[Nd1 Fe2 Sb1 O6]'
_cell_volume [129.6560]
_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  1  0.1996  0.1883  0.4137  1.0
  Fe  Fe1  1  0.4755  0.4791  0.5783  1.0
  Fe  Fe2  1  0.9870  0.9831  0.0473  1.0
  Sb  Sb3  1  0.6796  0.6801  0.9593  1.0
  O  O4  1  0.0534  0.7656  0.7625  1.0
  O  O5  1  0.2991  0.6162  0.2405  1.0
  O  O6  1  0.4076  0.0559  0.7689  1.0
  O  O7  1  0.6252  0.8562  0.2266  1.0
  O  O8  1  0.7544  0.4206  0.7607  1.0
  O  O9  1  0.8569  0.2932  0.2269  1.0
]