data_[Li2Ni4O4F2]
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 [P4/nmm]
_cell_length_a [2.9648]
_cell_length_b [2.9648]
_cell_length_c [12.5665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LiNi2O2F]
_chemical_formula_sum '[Li2 Ni4 O4 F2]'
_cell_volume [110.4591]
_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  0.0000  0.5000  0.4167  1.0
  Ni  Ni1  2  0.0000  0.5000  0.0852  1.0
  Ni  Ni2  2  0.0000  0.5000  0.7486  1.0
  O  O3  2  0.0000  0.5000  0.2541  1.0
  O  O4  2  0.0000  0.5000  0.9155  1.0
  F  F5  2  0.0000  0.5000  0.5773  1.0
]