# generated using pymatgen
data_NbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64564091
_cell_length_b   5.64564091
_cell_length_c   4.00757000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.41495486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbO2F
_chemical_formula_sum   'Nb2 O4 F2'
_cell_volume   127.62088055
_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
  Nb  Nb0  1  0.52140700  0.47859300  0.00000000  1.0
  Nb  Nb1  1  0.99452900  0.00547100  0.00000000  1.0
  O  O2  1  0.00027300  0.99972700  0.50000000  1.0
  O  O3  1  0.74703500  0.25296500  0.00000000  1.0
  O  O4  1  0.74208000  0.74949500  0.00000000  1.0
  O  O5  1  0.25050500  0.25792000  0.00000000  1.0
  F  F6  1  0.49252300  0.50747700  0.50000000  1.0
  F  F7  1  0.25164900  0.74835100  0.00000000  1.0