# generated using pymatgen
data_LiIrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34246283
_cell_length_b   5.34247111
_cell_length_c   5.34246113
_cell_angle_alpha   55.16484233
_cell_angle_beta   55.16482598
_cell_angle_gamma   55.16480725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrF6
_chemical_formula_sum   'Li1 Ir1 F6'
_cell_volume   95.70086856
_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
  Ir  Ir1  1  0.00000000  -0.00000000  -0.00000000  1
  F  F2  1  0.61987497  0.24266396  0.89235405  1
  F  F3  1  0.24266496  0.89235305  0.61987497  1
  F  F4  1  0.10764695  0.38012703  0.75733504  1
  F  F5  1  0.89235305  0.61987297  0.24266496  1
  F  F6  1  0.75733504  0.10764695  0.38012503  1
  F  F7  1  0.38012503  0.75733604  0.10764595  1
