data_[Nb1In1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3677]
_cell_length_b [5.3923]
_cell_length_c [5.6927]
_cell_angle_alpha [62.5754]
_cell_angle_beta [62.2104]
_cell_angle_gamma [60.3024]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbIn(FeO3)2]
_chemical_formula_sum '[Nb1 In1 Fe2 O6]'
_cell_volume [120.8348]
_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
[
  Nb  Nb0  1  0.6834  0.6907  0.9382  1.0
  In  In1  1  0.1894  0.1882  0.4309  1.0
  Fe  Fe2  1  0.4796  0.4814  0.5626  1.0
  Fe  Fe3  1  0.9782  0.9725  0.0787  1.0
  O  O4  1  0.0512  0.7841  0.7607  1.0
  O  O5  1  0.3014  0.5789  0.2497  1.0
  O  O6  1  0.4133  0.0523  0.7504  1.0
  O  O7  1  0.5845  0.8785  0.2363  1.0
  O  O8  1  0.7691  0.4183  0.7487  1.0
  O  O9  1  0.8884  0.2934  0.2287  1.0
]