data_[Li4Ni2O4F2]
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-3m1]
_cell_length_a [2.8940]
_cell_length_b [2.8940]
_cell_length_c [14.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2NiO2F]
_chemical_formula_sum '[Li4 Ni2 O4 F2]'
_cell_volume [103.7416]
_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  0.3333  0.6667  0.8367  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  2  0.3333  0.6667  0.3326  1.0
  O  O4  2  0.0000  0.0000  0.2570  1.0
  O  O5  2  0.3333  0.6667  0.5907  1.0
  F  F6  2  0.3333  0.6667  0.0819  1.0
]