# generated using pymatgen
data_Li3NiO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61602300
_cell_length_b   8.56910800
_cell_length_c   9.52206600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiO2F
_chemical_formula_sum   'Li12 Ni4 O8 F4'
_cell_volume   295.05160946
_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  0.00000000  0.09937900  0.83844900  1
  Li  Li1  1  0.50000000  0.14487300  0.07828600  1
  Li  Li2  1  0.50000000  0.15683900  0.67068800  1
  Li  Li3  1  0.00000000  0.34316100  0.17068800  1
  Li  Li4  1  0.00000000  0.35512700  0.57828600  1
  Li  Li5  1  0.50000000  0.40062100  0.33844900  1
  Li  Li6  1  0.50000000  0.59937900  0.66155100  1
  Li  Li7  1  0.00000000  0.64487300  0.42171400  1
  Li  Li8  1  0.00000000  0.65683900  0.82931200  1
  Li  Li9  1  0.50000000  0.84316100  0.32931200  1
  Li  Li10  1  0.50000000  0.85512700  0.92171400  1
  Li  Li11  1  0.00000000  0.90062100  0.16155100  1
  Ni  Ni12  1  0.00000000  0.11926600  0.39785200  1
  Ni  Ni13  1  0.50000000  0.38073400  0.89785200  1
  Ni  Ni14  1  0.50000000  0.61926600  0.10214800  1
  Ni  Ni15  1  0.00000000  0.88073400  0.60214800  1
  O  O16  1  0.00000000  0.10224600  0.61213400  1
  O  O17  1  0.50000000  0.16332500  0.87841400  1
  O  O18  1  0.00000000  0.33667500  0.37841400  1
  O  O19  1  0.50000000  0.39775400  0.11213400  1
  O  O20  1  0.50000000  0.60224600  0.88786600  1
  O  O21  1  0.00000000  0.66332500  0.62158600  1
  O  O22  1  0.50000000  0.83667500  0.12158600  1
  O  O23  1  0.00000000  0.89775400  0.38786600  1
  F  F24  1  0.00000000  0.11933000  0.15331000  1
  F  F25  1  0.50000000  0.38067000  0.65331000  1
  F  F26  1  0.50000000  0.61933000  0.34669000  1
  F  F27  1  0.00000000  0.88067000  0.84669000  1
