# generated using pymatgen
data_LiNbF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15468335
_cell_length_b   9.15468335
_cell_length_c   5.28015899
_cell_angle_alpha   84.40732701
_cell_angle_beta   84.40732701
_cell_angle_gamma   114.62939108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbF5
_chemical_formula_sum   'Li4 Nb4 F20'
_cell_volume   395.65672871
_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  0.85830200  0.48214100  0.42868600  1
  Li  Li1  1  0.51785900  0.14169800  0.57131400  1
  Li  Li2  1  0.48214100  0.85830200  0.42868600  1
  Li  Li3  1  0.14169800  0.51785900  0.57131400  1
  Nb  Nb4  1  0.80767600  0.19232400  0.00000000  1
  Nb  Nb5  1  0.74801700  0.74801700  0.75332300  1
  Nb  Nb6  1  0.25198300  0.25198300  0.24667700  1
  Nb  Nb7  1  0.19232400  0.80767600  0.00000000  1
  F  F8  1  0.92842900  0.34135500  0.65296600  1
  F  F9  1  0.97821700  0.78336400  0.87603300  1
  F  F10  1  0.65864500  0.07157100  0.34703400  1
  F  F11  1  0.82335300  0.39365300  0.13095800  1
  F  F12  1  0.60634700  0.17664700  0.86904200  1
  F  F13  1  0.87147200  0.87147200  0.42802200  1
  F  F14  1  0.72704000  0.54094200  0.64006500  1
  F  F15  1  0.78336400  0.97821700  0.87603300  1
  F  F16  1  0.65454300  0.65454300  0.10287600  1
  F  F17  1  0.45905800  0.27296000  0.35993500  1
  F  F18  1  0.54094200  0.72704000  0.64006500  1
  F  F19  1  0.34545700  0.34545700  0.89712400  1
  F  F20  1  0.21663600  0.02178300  0.12396700  1
  F  F21  1  0.27296000  0.45905800  0.35993500  1
  F  F22  1  0.12852800  0.12852800  0.57197800  1
  F  F23  1  0.39365300  0.82335300  0.13095800  1
  F  F24  1  0.17664700  0.60634700  0.86904200  1
  F  F25  1  0.34135500  0.92842900  0.65296600  1
  F  F26  1  0.02178300  0.21663600  0.12396700  1
  F  F27  1  0.07157100  0.65864500  0.34703400  1
