# generated using pymatgen data_Li2Y6Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89027300 _cell_length_b 6.85067459 _cell_length_c 14.72857180 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99897013 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Y6Ir3Ru _chemical_formula_sum 'Li4 Y12 Ir6 Ru2' _cell_volume 493.43173692 _cell_formula_units_Z 2 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 0.99965583 0.50000000 0.32816278 1.0 Li Li1 1 0.49990115 0.00000000 0.49685747 1.0 Li Li2 1 0.00082926 0.50000000 0.66981321 1.0 Li Li3 1 0.50034560 0.00000000 0.83861500 1.0 Y Y4 1 0.49995085 0.25492043 0.00433750 1.0 Y Y5 1 0.49995085 0.74508057 0.00433750 1.0 Y Y6 1 0.99988666 0.24514903 0.16215993 1.0 Y Y7 1 0.99988666 0.75484897 0.16215993 1.0 Y Y8 1 0.49985771 0.24493864 0.32790371 1.0 Y Y9 1 0.49985771 0.75506036 0.32790371 1.0 Y Y10 1 0.99994552 0.25070956 0.49922339 1.0 Y Y11 1 0.99994552 0.74929144 0.49922339 1.0 Y Y12 1 0.50012860 0.24930219 0.66763334 1.0 Y Y13 1 0.50012860 0.75069681 0.66763334 1.0 Y Y14 1 0.00006642 0.25503993 0.83874956 1.0 Y Y15 1 0.00006642 0.74495807 0.83874956 1.0 Ir Ir16 1 0.99994587 0.00000000 0.99629051 1.0 Ir Ir17 1 0.49991231 0.50000000 0.17022071 1.0 Ir Ir18 1 0.99986526 0.00000000 0.33651889 1.0 Ir Ir19 1 0.49993775 0.50000000 0.50132465 1.0 Ir Ir20 1 0.00007107 0.00000000 0.66551030 1.0 Ir Ir21 1 0.50005067 0.50000000 0.83020847 1.0 Ru Ru22 1 0.99994097 0.50000000 0.00015623 1.0 Ru Ru23 1 0.49988276 0.00000000 0.16630392 1.0