# generated using pymatgen
data_Li3NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70756508
_cell_length_b   7.00296381
_cell_length_c   7.61196127
_cell_angle_alpha   77.80029009
_cell_angle_beta   115.64978647
_cell_angle_gamma   120.80310865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbF6
_chemical_formula_sum   'Li3 Nb1 F6'
_cell_volume   276.82689763
_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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.00000000  0.50000000  0.00000000  1
  Nb  Nb3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.91037100  0.26044000  0.88885600  1
  F  F5  1  0.08962900  0.73956000  0.11114400  1
  F  F6  1  0.04861100  0.99001200  0.74557800  1
  F  F7  1  0.95138900  0.00998800  0.25442200  1
  F  F8  1  0.61365400  0.75504000  0.89133200  1
  F  F9  1  0.38634600  0.24496000  0.10866800  1
