data_[Li3Nb4Fe1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2529]
_cell_length_b [5.6279]
_cell_length_c [7.6804]
_cell_angle_alpha [84.9696]
_cell_angle_beta [89.9512]
_cell_angle_gamma [89.7868]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Nb4FeO12]
_chemical_formula_sum '[Li3 Nb4 Fe1 O12]'
_cell_volume [226.1797]
_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
[
  Li  Li0  1  0.4991  0.9434  0.7226  1.0
  Li  Li1  1  0.5001  0.9388  0.2164  1.0
  Li  Li2  1  0.9990  0.4298  0.2160  1.0
  Nb  Nb3  1  0.0013  0.0115  0.5012  1.0
  Nb  Nb4  1  0.4957  0.4981  0.0078  1.0
  Nb  Nb5  1  0.5014  0.5184  0.4982  1.0
  Nb  Nb6  1  0.9939  0.9923  0.0071  1.0
  Fe  Fe7  1  0.9977  0.4212  0.7136  1.0
  O  O8  1  0.1247  0.0369  0.7637  1.0
  O  O9  1  0.1806  0.3449  0.4612  1.0
  O  O10  1  0.1948  0.7141  0.0781  1.0
  O  O11  1  0.3063  0.2175  0.0801  1.0
  O  O12  1  0.3180  0.8411  0.4538  1.0
  O  O13  1  0.3765  0.5356  0.7621  1.0
  O  O14  1  0.6253  0.5336  0.2597  1.0
  O  O15  1  0.6796  0.8422  0.9573  1.0
  O  O16  1  0.6957  0.2216  0.5781  1.0
  O  O17  1  0.8081  0.7191  0.5813  1.0
  O  O18  1  0.8224  0.3439  0.9519  1.0
  O  O19  1  0.8797  0.0369  0.2602  1.0
]