# generated using pymatgen
data_Li2NbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02942764
_cell_length_b   5.02942764
_cell_length_c   4.70958600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbF6
_chemical_formula_sum   'Li2 Nb1 F6'
_cell_volume   103.16930685
_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  0.33333300  0.66666700  0.50000000  1.0
  Li  Li1  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.00000000  1.0
  F  F3  1  0.32333000  0.00000000  0.25565000  1.0
  F  F4  1  0.00000000  0.32333000  0.25565000  1.0
  F  F5  1  0.00000000  0.67667000  0.74435000  1.0
  F  F6  1  0.67667000  0.67667000  0.25565000  1.0
  F  F7  1  0.67667000  0.00000000  0.74435000  1.0
  F  F8  1  0.32333000  0.32333000  0.74435000  1.0