# generated using pymatgen
data_Li5NiO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54526718
_cell_length_b   6.54526718
_cell_length_c   4.72820316
_cell_angle_alpha   80.19204545
_cell_angle_beta   80.19204545
_cell_angle_gamma   89.28217056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NiO3F
_chemical_formula_sum   'Li10 Ni2 O6 F2'
_cell_volume   196.65250894
_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  1  0.15929900  0.58396000  0.38431200  1
  Li  Li1  1  0.41604000  0.84070100  0.61568800  1
  Li  Li2  1  0.58396000  0.15929900  0.38431200  1
  Li  Li3  1  0.84070100  0.41604000  0.61568800  1
  Li  Li4  1  0.32955300  0.93043100  0.12719100  1
  Li  Li5  1  0.63930800  0.63930800  0.12025700  1
  Li  Li6  1  0.36069200  0.36069200  0.87974300  1
  Li  Li7  1  0.93043100  0.32955300  0.12719100  1
  Li  Li8  1  0.67044700  0.06956900  0.87280900  1
  Li  Li9  1  0.06956900  0.67044700  0.87280900  1
  Ni  Ni10  1  0.12726700  0.12726700  0.62580100  1
  Ni  Ni11  1  0.87273300  0.87273300  0.37419900  1
  O  O12  1  0.13987700  0.86012300  0.50000000  1
  O  O13  1  0.86012300  0.13987700  0.50000000  1
  O  O14  1  0.89926500  0.60787300  0.25269900  1
  O  O15  1  0.60787300  0.89926500  0.25269900  1
  O  O16  1  0.39212700  0.10073500  0.74730100  1
  O  O17  1  0.10073500  0.39212700  0.74730100  1
  F  F18  1  0.35344100  0.64655900  0.00000000  1
  F  F19  1  0.64655900  0.35344100  0.00000000  1
