data_[Li12Ni2O2F12]
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 [I4/mmm]
_cell_length_a [2.8938]
_cell_length_b [2.8938]
_cell_length_c [28.7370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li6NiOF6]
_chemical_formula_sum '[Li12 Ni2 O2 F12]'
_cell_volume [240.6411]
_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  4  0.0000  0.0000  0.1450  1.0
  Li  Li1  4  0.0000  0.0000  0.2852  1.0
  Li  Li2  4  0.0000  0.0000  0.4274  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
  F  F5  4  0.0000  0.0000  0.0754  1.0
  F  F6  4  0.0000  0.0000  0.2150  1.0
  F  F7  4  0.0000  0.0000  0.3553  1.0
]