# generated using pymatgen
data_LiNi2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94214430
_cell_length_b   5.94214430
_cell_length_c   5.05275900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2OF3
_chemical_formula_sum   'Li2 Ni4 O2 F6'
_cell_volume   154.50608539
_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  0.66666700  0.33333300  0.02890500  1
  Li  Li1  1  0.33333300  0.66666700  0.97109500  1
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni3  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  O  O6  1  0.66666700  0.33333300  0.66756300  1
  O  O7  1  0.33333300  0.66666700  0.33243700  1
  F  F8  1  0.83113700  0.66227300  0.22489200  1
  F  F9  1  0.33772700  0.16886300  0.22489200  1
  F  F10  1  0.16886300  0.83113700  0.77510800  1
  F  F11  1  0.83113700  0.16886300  0.22489200  1
  F  F12  1  0.66227300  0.83113700  0.77510800  1
  F  F13  1  0.16886300  0.33772700  0.77510800  1
