# generated using pymatgen
data_NbOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40748029
_cell_length_b   5.40748029
_cell_length_c   5.40748029
_cell_angle_alpha   143.24403676
_cell_angle_beta   137.85050403
_cell_angle_gamma   57.14001448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOF2
_chemical_formula_sum   'Nb1 O1 F2'
_cell_volume   62.97374389
_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
  Nb  Nb0  1  0.00000000  0.00000000  0.00000000  1.0
  O  O1  1  0.50000000  0.00000000  0.50000000  1.0
  F  F2  1  0.13355200  0.63355200  0.50000000  1.0
  F  F3  1  0.86644800  0.36644800  0.50000000  1.0