data_[Li6Nb2Fe8O16]
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 [C2/m]
_cell_length_a [10.4543]
_cell_length_b [6.2389]
_cell_length_c [6.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Nb(FeO2)4]
_chemical_formula_sum '[Li6 Nb2 Fe8 O16]'
_cell_volume [328.8731]
_cell_formula_units_Z [2]
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  4  0.2500  0.2500  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Nb  Nb2  2  0.0000  0.5000  0.0000  1
  Fe  Fe3  4  0.2500  0.2500  0.5000  1
  Fe  Fe4  2  0.0000  0.0000  0.0000  1
  Fe  Fe5  2  0.0000  0.5000  0.5000  1
  O  O6  8  0.0072  0.2665  0.7735  1
  O  O7  4  0.2391  0.5000  0.2364  1
  O  O8  4  0.2499  0.0000  0.2735  1
]