data_[Li2Ni2S2O8F2]
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
  S  2.5800  1.0000  0.8800
  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 [5.1858]
_cell_length_b [5.4333]
_cell_length_c [7.2525]
_cell_angle_alpha [107.2946]
_cell_angle_beta [107.7765]
_cell_angle_gamma [97.7402]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNiSO4F]
_chemical_formula_sum '[Li2 Ni2 S2 O8 F2]'
_cell_volume [179.9914]
_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  2  0.2716  0.6338  0.7894  1.0
  Ni  Ni1  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.5000  1.0
  S  S3  2  0.3257  0.6423  0.2490  1.0
  O  O4  2  0.1031  0.6561  0.3402  1.0
  O  O5  2  0.2802  0.7791  0.0953  1.0
  O  O6  2  0.3165  0.3576  0.1410  1.0
  O  O7  2  0.3937  0.2423  0.5866  1.0
  F  F8  2  0.1177  0.9112  0.7556  1.0
]