data_[Li4Ni3O2F6]
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-1]
_cell_length_a [5.1285]
_cell_length_b [5.1498]
_cell_length_c [5.8916]
_cell_angle_alpha [89.4960]
_cell_angle_beta [72.8584]
_cell_angle_gamma [79.9779]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Ni3(OF3)2]
_chemical_formula_sum '[Li4 Ni3 O2 F6]'
_cell_volume [146.2707]
_cell_formula_units_Z [1]
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  0.4858  0.7286  0.6223  1.0
  Li  Li1  2  0.4884  0.7634  0.1374  1.0
  Ni  Ni2  2  0.0028  0.5013  0.2604  1.0
  Ni  Ni3  1  0.0000  0.0000  0.5000  1.0
  O  O4  2  0.2315  0.6398  0.4416  1.0
  F  F5  2  0.2517  0.5948  0.9349  1.0
  F  F6  2  0.2597  0.1306  0.6763  1.0
  F  F7  2  0.2766  0.1351  0.1921  1.0
]