# generated using pymatgen
data_Nb5O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89218800
_cell_length_b   6.37889500
_cell_length_c   18.37823000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5O12F
_chemical_formula_sum   'Nb10 O24 F2'
_cell_volume   456.29209525
_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  0.00000000  0.22742500  0.64518300  1.0
  Nb  Nb1  1  0.00000000  0.22742500  0.85481700  1.0
  Nb  Nb2  1  0.00000000  0.21812400  0.25000000  1.0
  Nb  Nb3  1  0.00000000  0.30899100  0.06341200  1.0
  Nb  Nb4  1  0.00000000  0.30899100  0.43658800  1.0
  Nb  Nb5  1  0.00000000  0.69100900  0.56341200  1.0
  Nb  Nb6  1  0.00000000  0.69100900  0.93658800  1.0
  Nb  Nb7  1  0.00000000  0.78187600  0.75000000  1.0
  Nb  Nb8  1  0.00000000  0.77257500  0.35481700  1.0
  Nb  Nb9  1  0.00000000  0.77257500  0.14518300  1.0
  O  O10  1  0.00000000  0.09390300  0.14390300  1.0
  O  O11  1  0.00000000  0.09390300  0.35609700  1.0
  O  O12  1  0.00000000  0.14529200  0.75000000  1.0
  O  O13  1  0.50000000  0.20762600  0.63371500  1.0
  O  O14  1  0.50000000  0.20762600  0.86628500  1.0
  O  O15  1  0.50000000  0.20435800  0.25000000  1.0
  O  O16  1  0.50000000  0.29296900  0.05965000  1.0
  O  O17  1  0.50000000  0.29296900  0.44035000  1.0
  O  O18  1  0.00000000  0.37612000  0.54769600  1.0
  O  O19  1  0.00000000  0.37612000  0.95230400  1.0
  O  O20  1  0.00000000  0.46551900  0.17402200  1.0
  O  O21  1  0.00000000  0.46551900  0.32597800  1.0
  O  O22  1  0.00000000  0.53448100  0.67402200  1.0
  O  O23  1  0.00000000  0.53448100  0.82597800  1.0
  O  O24  1  0.00000000  0.62388000  0.04769600  1.0
  O  O25  1  0.00000000  0.62388000  0.45230400  1.0
  O  O26  1  0.50000000  0.70703100  0.55965000  1.0
  O  O27  1  0.50000000  0.70703100  0.94035000  1.0
  O  O28  1  0.50000000  0.79564200  0.75000000  1.0
  O  O29  1  0.50000000  0.79237400  0.36628500  1.0
  O  O30  1  0.50000000  0.79237400  0.13371500  1.0
  O  O31  1  0.00000000  0.85470800  0.25000000  1.0
  O  O32  1  0.00000000  0.90609700  0.64390300  1.0
  O  O33  1  0.00000000  0.90609700  0.85609700  1.0
  F  F34  1  0.00000000  0.00000000  0.00000000  1.0
  F  F35  1  0.00000000  0.00000000  0.50000000  1.0