# generated using pymatgen
data_LiNbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33463373
_cell_length_b   5.33463373
_cell_length_c   5.60257537
_cell_angle_alpha   62.98711641
_cell_angle_beta   62.98711641
_cell_angle_gamma   58.93112070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO2F
_chemical_formula_sum   'Li2 Nb2 O4 F2'
_cell_volume   116.51266178
_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  0.73983300  0.33149900  0.66178100  1
  Li  Li1  1  0.33149900  0.73983300  0.16178100  1
  Nb  Nb2  1  0.49114100  0.99856600  0.51974000  1
  Nb  Nb3  1  0.99856600  0.49114100  0.01974000  1
  O  O4  1  0.62244300  0.70289300  0.31742000  1
  O  O5  1  0.23273900  0.35619100  0.28518100  1
  O  O6  1  0.35619100  0.23273900  0.78518100  1
  O  O7  1  0.70289300  0.62244300  0.81742000  1
  F  F8  1  0.91010900  0.07058500  0.28187800  1
  F  F9  1  0.07058500  0.91010900  0.78187800  1
