data_[Li8Ni1O5F1]
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 [P1]
_cell_length_a [5.2908]
_cell_length_b [5.3137]
_cell_length_c [5.7693]
_cell_angle_alpha [90.9207]
_cell_angle_beta [115.7714]
_cell_angle_gamma [114.5006]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li8NiO5F]
_chemical_formula_sum '[Li8 Ni1 O5 F1]'
_cell_volume [129.0380]
_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  0.1316  0.2328  0.6638  1.0
  Li  Li1  1  0.2443  0.4687  0.3584  1.0
  Li  Li2  1  0.3150  0.6803  0.9728  1.0
  Li  Li3  1  0.4115  0.8917  0.6483  1.0
  Li  Li4  1  0.5747  0.0933  0.3442  1.0
  Li  Li5  1  0.7242  0.3633  0.0141  1.0
  Li  Li6  1  0.7588  0.5232  0.6563  1.0
  Li  Li7  1  0.8935  0.7921  0.3617  1.0
  Ni  Ni8  1  0.9502  0.9632  0.9748  1.0
  O  O9  1  0.1149  0.8890  0.7553  1.0
  O  O10  1  0.1594  0.7723  0.2280  1.0
  O  O11  1  0.4967  0.5867  0.7594  1.0
  O  O12  1  0.8216  0.2087  0.7578  1.0
  O  O13  1  0.8662  0.1036  0.2323  1.0
  F  F14  1  0.5374  0.4313  0.2728  1.0
]