data_[Li4Nb4Fe4O16]
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/c]
_cell_length_a [8.6778]
_cell_length_b [8.9305]
_cell_length_c [6.1467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiNbFeO4]
_chemical_formula_sum '[Li4 Nb4 Fe4 O16]'
_cell_volume [340.1234]
_cell_formula_units_Z [4]
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  0.0000  0.1059  0.2500  1.0
  Nb  Nb1  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe2  4  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0012  0.2459  0.5316  1.0
  O  O4  8  0.2319  0.5275  0.4902  1.0
]