data_[Li4Ni4O4F4]
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 [2.9546]
_cell_length_b [2.9546]
_cell_length_c [16.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LiNiOF]
_chemical_formula_sum '[Li4 Ni4 O4 F4]'
_cell_volume [144.7992]
_cell_formula_units_Z [4]
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  0.3171  1.0
  Li  Li1  2  0.0000  0.5000  0.5594  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0647  1.0
  Ni  Ni3  2  0.0000  0.5000  0.8091  1.0
  O  O4  2  0.0000  0.5000  0.1931  1.0
  O  O5  2  0.0000  0.5000  0.9358  1.0
  F  F6  2  0.0000  0.5000  0.4396  1.0
  F  F7  2  0.0000  0.5000  0.6791  1.0
]