# generated using pymatgen
data_Li3IrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73480658
_cell_length_b   5.67179814
_cell_length_c   6.42406722
_cell_angle_alpha   71.09228434
_cell_angle_beta   118.87068596
_cell_angle_gamma   123.34779355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3IrF6
_chemical_formula_sum   'Li3 Ir1 F6'
_cell_volume   178.93123700
_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
  Ir  Ir3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.12191300  0.39751100  0.83500800  1
  F  F5  1  0.87808700  0.60248900  0.16499200  1
  F  F6  1  0.90389000  0.77523600  0.74237100  1
  F  F7  1  0.09611000  0.22476400  0.25762900  1
  F  F8  1  0.63294500  0.89596900  0.92286700  1
  F  F9  1  0.36705500  0.10403100  0.07713300  1
