# generated using pymatgen data_LaAl10IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87357237 _cell_length_b 6.86293726 _cell_length_c 9.15630567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.36199112 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAl10IrRu _chemical_formula_sum 'La2 Al20 Ir2 Ru2' _cell_volume 428.36879426 _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 La La0 1 0.87308678 0.12249754 0.75000000 1.0 La La1 1 0.12691322 0.87750246 0.25000000 1.0 Al Al2 1 0.61979326 0.37673596 0.55064111 1.0 Al Al3 1 0.38020674 0.62326404 0.44935889 1.0 Al Al4 1 0.38020674 0.62326404 0.05064111 1.0 Al Al5 1 0.61979326 0.37673596 0.94935889 1.0 Al Al6 1 0.22769500 0.22524040 0.49957451 1.0 Al Al7 1 0.77230500 0.77475960 0.50042549 1.0 Al Al8 1 0.77230500 0.77475960 0.99957451 1.0 Al Al9 1 0.22769500 0.22524040 0.00042549 1.0 Al Al10 1 0.83773246 0.16039674 0.10317500 1.0 Al Al11 1 0.16226754 0.83960326 0.89682500 1.0 Al Al12 1 0.16226754 0.83960326 0.60317500 1.0 Al Al13 1 0.83773246 0.16039674 0.39682500 1.0 Al Al14 1 0.85816498 0.59377377 0.75000000 1.0 Al Al15 1 0.14183502 0.40622623 0.25000000 1.0 Al Al16 1 0.40771843 0.13987644 0.75000000 1.0 Al Al17 1 0.59228157 0.86012356 0.25000000 1.0 Al Al18 1 0.22297127 0.48250757 0.75000000 1.0 Al Al19 1 0.77702873 0.51749243 0.25000000 1.0 Al Al20 1 0.51613643 0.77797958 0.75000000 1.0 Al Al21 1 0.48386357 0.22202042 0.25000000 1.0 Ir Ir22 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru25 1 0.50000000 0.00000000 0.50000000 1.0