data_[Li10Ni2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2766]
_cell_length_b [8.6655]
_cell_length_c [5.2611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5NiF6]
_chemical_formula_sum '[Li10 Ni2 F12]'
_cell_volume [219.8532]
_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  0.1634  0.5000  1
  Li  Li1  4  0.0000  0.3372  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  F  F4  8  0.2458  0.3253  0.7503  1
  F  F5  4  0.2226  0.5000  0.2795  1
]