# generated using pymatgen
data_Li3PF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73890916
_cell_length_b   5.89985064
_cell_length_c   7.39997253
_cell_angle_alpha   57.32386211
_cell_angle_beta   139.00551949
_cell_angle_gamma   119.57500332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3PF6
_chemical_formula_sum   'Li3 P1 F6'
_cell_volume   136.65638020
_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
  P  P3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.98584800  0.40604800  0.77789300  1
  F  F5  1  0.01415200  0.59395200  0.22210700  1
  F  F6  1  0.92158500  0.86954300  0.75810900  1
  F  F7  1  0.07841500  0.13045700  0.24189100  1
  F  F8  1  0.48928400  0.88483800  0.82272200  1
  F  F9  1  0.51071600  0.11516200  0.17727800  1
