# generated using pymatgen
data_Li4Ni3O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05297364
_cell_length_b   5.05297364
_cell_length_c   6.37425734
_cell_angle_alpha   82.39161113
_cell_angle_beta   82.39161113
_cell_angle_gamma   48.37620019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ni3O6F
_chemical_formula_sum   'Li4 Ni3 O6 F1'
_cell_volume   120.37166871
_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  0.42493300  0.42493300  0.71149800  1
  Li  Li1  1  0.71967100  0.71967100  0.85725900  1
  Li  Li2  1  0.28032900  0.28032900  0.14274100  1
  Li  Li3  1  0.57506700  0.57506700  0.28850200  1
  Ni  Ni4  1  0.14301400  0.14301400  0.57413900  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.85698600  0.85698600  0.42586100  1
  O  O7  1  0.19285600  0.19285600  0.86411500  1
  O  O8  1  0.65778200  0.65778200  0.56075400  1
  O  O9  1  0.94438700  0.94438700  0.71719300  1
  O  O10  1  0.80714400  0.80714400  0.13588500  1
  O  O11  1  0.34221800  0.34221800  0.43924600  1
  O  O12  1  0.05561300  0.05561300  0.28280700  1
  F  F13  1  0.50000000  0.50000000  0.00000000  1
