# generated using pymatgen
data_Li3NbOF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29868500
_cell_length_b   5.36050400
_cell_length_c   16.57991000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbOF6
_chemical_formula_sum   'Li12 Nb4 O4 F24'
_cell_volume   470.92949871
_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  0.75431100  0.96650900  0.24650800  1
  Li  Li1  1  0.26075400  0.99631400  0.12826900  1
  Li  Li2  1  0.78069500  0.98342700  0.50849400  1
  Li  Li3  1  0.71930500  0.01657300  0.00849400  1
  Li  Li4  1  0.23924600  0.00368600  0.62826900  1
  Li  Li5  1  0.74568900  0.03349100  0.74650800  1
  Li  Li6  1  0.24568900  0.46650900  0.25349200  1
  Li  Li7  1  0.73924600  0.49631400  0.37173100  1
  Li  Li8  1  0.21930500  0.48342700  0.99150600  1
  Li  Li9  1  0.28069500  0.51657300  0.49150600  1
  Li  Li10  1  0.76075400  0.50368600  0.87173100  1
  Li  Li11  1  0.25431100  0.53349100  0.75349200  1
  Nb  Nb12  1  0.24261800  0.00207300  0.87459900  1
  Nb  Nb13  1  0.25738200  0.99792700  0.37459900  1
  Nb  Nb14  1  0.75738200  0.50207300  0.62540100  1
  Nb  Nb15  1  0.74261800  0.49792700  0.12540100  1
  O  O16  1  0.91804200  0.78844200  0.64119700  1
  O  O17  1  0.58195800  0.21155800  0.14119700  1
  O  O18  1  0.08195800  0.28844200  0.85880300  1
  O  O19  1  0.41804200  0.71155800  0.35880300  1
  F  F20  1  0.98485200  0.79581500  0.80646400  1
  F  F21  1  0.92919600  0.84896700  0.11270900  1
  F  F22  1  0.99863900  0.82778600  0.95201800  1
  F  F23  1  0.89751900  0.86863700  0.37310000  1
  F  F24  1  0.16178500  0.88175900  0.49153400  1
  F  F25  1  0.37689900  0.96901000  0.75728500  1
  F  F26  1  0.12310100  0.03099000  0.25728500  1
  F  F27  1  0.33821500  0.11824100  0.99153400  1
  F  F28  1  0.60248100  0.13136300  0.87310000  1
  F  F29  1  0.50136100  0.17221400  0.45201800  1
  F  F30  1  0.57080400  0.15103300  0.61270900  1
  F  F31  1  0.51514800  0.20418500  0.30646400  1
  F  F32  1  0.01514800  0.29581500  0.69353600  1
  F  F33  1  0.07080400  0.34896700  0.38729100  1
  F  F34  1  0.00136100  0.32778600  0.54798200  1
  F  F35  1  0.10248100  0.36863700  0.12690000  1
  F  F36  1  0.83821500  0.38175900  0.00846600  1
  F  F37  1  0.62310100  0.46901000  0.74271500  1
  F  F38  1  0.87689900  0.53099000  0.24271500  1
  F  F39  1  0.66178500  0.61824100  0.50846600  1
  F  F40  1  0.39751900  0.63136300  0.62690000  1
  F  F41  1  0.49863900  0.67221400  0.04798200  1
  F  F42  1  0.42919600  0.65103300  0.88729100  1
  F  F43  1  0.48485200  0.70418500  0.19353600  1
