# generated using pymatgen
data_Li3IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63321102
_cell_length_b   6.63321102
_cell_length_c   6.63321102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3IrRu
_chemical_formula_sum   'Li12 Ir4 Ru4'
_cell_volume   291.85789092
_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  0.12541728  0.20849224  0.46029487  1.0
  Li  Li1  1  0.46029487  0.12541728  0.20849224  1.0
  Li  Li2  1  0.20849224  0.46029487  0.12541728  1.0
  Li  Li3  1  0.29150776  0.53970513  0.62541728  1.0
  Li  Li4  1  0.96029487  0.37458272  0.79150776  1.0
  Li  Li5  1  0.79150776  0.96029487  0.37458272  1.0
  Li  Li6  1  0.03970513  0.87458272  0.70849224  1.0
  Li  Li7  1  0.53970513  0.62541728  0.29150776  1.0
  Li  Li8  1  0.70849224  0.03970513  0.87458272  1.0
  Li  Li9  1  0.62541728  0.29150776  0.53970513  1.0
  Li  Li10  1  0.87458272  0.70849224  0.03970513  1.0
  Li  Li11  1  0.37458272  0.79150776  0.96029487  1.0
  Ir  Ir12  1  0.32713626  0.17286374  0.82713626  1.0
  Ir  Ir13  1  0.17286374  0.82713626  0.32713626  1.0
  Ir  Ir14  1  0.82713626  0.32713626  0.17286374  1.0
  Ir  Ir15  1  0.67286374  0.67286374  0.67286374  1.0
  Ru  Ru16  1  0.92250214  0.57749786  0.42250214  1.0
  Ru  Ru17  1  0.57749786  0.42250214  0.92250214  1.0
  Ru  Ru18  1  0.42250214  0.92250214  0.57749786  1.0
  Ru  Ru19  1  0.07749786  0.07749786  0.07749786  1.0