data_[Li4Nb1Fe3O8]
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 [5.1522]
_cell_length_b [5.7504]
_cell_length_c [6.5790]
_cell_angle_alpha [88.8431]
_cell_angle_beta [89.8301]
_cell_angle_gamma [89.6911]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4NbFe3O8]
_chemical_formula_sum '[Li4 Nb1 Fe3 O8]'
_cell_volume [194.8719]
_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  0.0051  0.5617  0.1285  1.0
  Li  Li1  1  0.0056  0.0850  0.3835  1.0
  Li  Li2  1  0.5025  0.4282  0.8711  1.0
  Li  Li3  1  0.5036  0.9042  0.6214  1.0
  Nb  Nb4  1  0.4962  0.9151  0.1217  1.0
  Fe  Fe5  1  0.0049  0.5861  0.6278  1.0
  Fe  Fe6  1  0.0248  0.1005  0.8451  1.0
  Fe  Fe7  1  0.4897  0.4213  0.3983  1.0
  O  O8  1  0.1048  0.4153  0.3907  1.0
  O  O9  1  0.1181  0.4280  0.8724  1.0
  O  O10  1  0.1205  0.9000  0.6199  1.0
  O  O11  1  0.1300  0.9175  0.1242  1.0
  O  O12  1  0.6091  0.0740  0.3532  1.0
  O  O13  1  0.6116  0.6030  0.1281  1.0
  O  O14  1  0.6118  0.0747  0.8850  1.0
  O  O15  1  0.6353  0.5854  0.6291  1.0
]