# generated using pymatgen
data_Li3NiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92813707
_cell_length_b   8.32343161
_cell_length_c   9.40231774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiF6
_chemical_formula_sum   'Li12 Ni4 F24'
_cell_volume   385.67378295
_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  1  0.99245869  0.86731829  0.37623831  1
  Li  Li1  1  0.49245869  0.13268171  0.62376169  1
  Li  Li2  1  0.99245869  0.63268171  0.87623831  1
  Li  Li3  1  0.49245869  0.36731829  0.12376169  1
  Li  Li4  1  0.99529882  0.55443809  0.14736623  1
  Li  Li5  1  0.49529882  0.44556191  0.85263377  1
  Li  Li6  1  0.99529882  0.94556191  0.64736623  1
  Li  Li7  1  0.49529882  0.05443809  0.35263377  1
  Li  Li8  1  0.00284123  0.94479621  0.10355311  1
  Li  Li9  1  0.50284123  0.05520379  0.89644689  1
  Li  Li10  1  0.00284123  0.55520379  0.60355311  1
  Li  Li11  1  0.50284123  0.44479621  0.39644689  1
  Ni  Ni12  1  0.49772316  0.74157972  0.13001115  1
  Ni  Ni13  1  0.99772316  0.25842028  0.86998885  1
  Ni  Ni14  1  0.49772316  0.75842028  0.63001115  1
  Ni  Ni15  1  0.99772316  0.24157972  0.36998885  1
  F  F16  1  0.67558246  0.58089902  0.01204559  1
  F  F17  1  0.17558246  0.41910098  0.98795441  1
  F  F18  1  0.67558246  0.91910098  0.51204559  1
  F  F19  1  0.17558246  0.08089902  0.48795441  1
  F  F20  1  0.34836584  0.56281689  0.23069517  1
  F  F21  1  0.84836584  0.43718311  0.76930483  1
  F  F22  1  0.34836584  0.93718311  0.73069517  1
  F  F23  1  0.84836584  0.06281689  0.26930483  1
  F  F24  1  0.65139119  0.90649302  0.02197468  1
  F  F25  1  0.15139119  0.09350698  0.97802532  1
  F  F26  1  0.65139119  0.59350698  0.52197468  1
  F  F27  1  0.15139119  0.40649302  0.47802532  1
  F  F28  1  0.81497192  0.73595383  0.24203735  1
  F  F29  1  0.31497192  0.26404617  0.75796265  1
  F  F30  1  0.81497192  0.76404617  0.74203735  1
  F  F31  1  0.31497192  0.23595383  0.25796265  1
  F  F32  1  0.81296377  0.39293734  0.25103173  1
  F  F33  1  0.31296377  0.60706266  0.74896827  1
  F  F34  1  0.81296377  0.10706266  0.75103173  1
  F  F35  1  0.31296377  0.89293734  0.24896827  1
  F  F36  1  0.16993192  0.74512508  0.02324231  1
  F  F37  1  0.66993192  0.25487492  0.97675769  1
  F  F38  1  0.16993192  0.75487492  0.52324231  1
  F  F39  1  0.66993192  0.24512508  0.47675769  1
