# generated using pymatgen
data_Li3NiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39689300
_cell_length_b   5.39689287
_cell_length_c   5.39689356
_cell_angle_alpha   59.99999610
_cell_angle_beta   59.99999732
_cell_angle_gamma   59.99999307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiF6
_chemical_formula_sum   'Li3 Ni1 F6'
_cell_volume   111.15177844
_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  1  0.25000000  0.25000000  0.25000000  1
  Li  Li1  1  0.75000000  0.75000000  0.75000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.24504000  0.75496000  0.24504000  1
  F  F5  1  0.75496000  0.75496000  0.24504000  1
  F  F6  1  0.75496000  0.24504000  0.75496000  1
  F  F7  1  0.75496000  0.24504000  0.24504000  1
  F  F8  1  0.24504000  0.75496000  0.75496000  1
  F  F9  1  0.24504000  0.24504000  0.75496000  1
