data_[Li8Ni1O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4337]
_cell_length_b [5.4409]
_cell_length_c [5.9773]
_cell_angle_alpha [63.6762]
_cell_angle_beta [63.8826]
_cell_angle_gamma [60.7861]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li8Ni(O2F)2]
_chemical_formula_sum '[Li8 Ni1 O4 F2]'
_cell_volume [132.4672]
_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  0.1094  0.7865  0.6477  1.0
  Li  Li1  2  0.2457  0.5368  0.3340  1.0
  Li  Li2  2  0.4061  0.2824  0.0001  1.0
  Li  Li3  2  0.4844  0.1051  0.6343  1.0
  Ni  Ni4  1  0.0000  0.0000  0.0000  1.0
  O  O5  2  0.2406  0.9222  0.2360  1.0
  O  O6  2  0.3948  0.7596  0.7638  1.0
  F  F7  2  0.1013  0.4120  0.7203  1.0
]