# generated using pymatgen
data_LiNi3O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96236100
_cell_length_b   2.96236100
_cell_length_c   8.52389500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi3O3F
_chemical_formula_sum   'Li1 Ni3 O3 F1'
_cell_volume   74.80214545
_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  0.00000000  0.00000000  0.50000000  1
  Ni  Ni1  1  0.50000000  0.50000000  0.75442000  1
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni3  1  0.50000000  0.50000000  0.24558000  1
  O  O4  1  0.00000000  0.00000000  0.74998600  1
  O  O5  1  0.50000000  0.50000000  0.00000000  1
  O  O6  1  0.00000000  0.00000000  0.25001400  1
  F  F7  1  0.50000000  0.50000000  0.50000000  1
