data_[Li8Nb1Fe3O12]
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 [P-1]
_cell_length_a [5.0042]
_cell_length_b [5.6951]
_cell_length_c [7.5834]
_cell_angle_alpha [99.7998]
_cell_angle_beta [90.0115]
_cell_angle_gamma [90.0043]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li8Nb(FeO4)3]
_chemical_formula_sum '[Li8 Nb1 Fe3 O12]'
_cell_volume [212.9699]
_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  2  0.0015  0.1479  0.6624  1
  Li  Li1  2  0.0060  0.1414  0.1804  1
  Li  Li2  2  0.4940  0.6550  0.6727  1
  Li  Li3  2  0.4996  0.6625  0.1834  1
  Nb  Nb4  1  0.0000  0.5000  0.0000  1
  Fe  Fe5  1  0.0000  0.5000  0.5000  1
  Fe  Fe6  1  0.5000  0.0000  0.0000  1
  Fe  Fe7  1  0.5000  0.0000  0.5000  1
  O  O8  2  0.1416  0.5010  0.7501  1
  O  O9  2  0.1740  0.8230  0.0722  1
  O  O10  2  0.1857  0.1753  0.4275  1
  O  O11  2  0.3240  0.6881  0.4282  1
  O  O12  2  0.3241  0.3261  0.0710  1
  O  O13  2  0.3540  0.0027  0.7419  1
]