# generated using pymatgen
data_LiNbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43011155
_cell_length_b   5.43011074
_cell_length_c   5.43011135
_cell_angle_alpha   56.19211728
_cell_angle_beta   56.19211555
_cell_angle_gamma   56.19211526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbF6
_chemical_formula_sum   'Li1 Nb1 F6'
_cell_volume   103.23791037
_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  0.50000000  0.50000000  0.50000000  1
  Nb  Nb1  1  0.00000000  -0.00000000  -0.00000000  1
  F  F2  1  0.87185825  0.63645341  0.24675094  1
  F  F3  1  0.63645341  0.24675094  0.87185825  1
  F  F4  1  0.24675094  0.87185825  0.63645341  1
  F  F5  1  0.12814175  0.36354659  0.75324906  1
  F  F6  1  0.36354659  0.75324906  0.12814175  1
  F  F7  1  0.75324906  0.12814175  0.36354659  1
