# generated using pymatgen data_Ca6Al24Ir5Os3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80632883 _cell_length_b 8.80297852 _cell_length_c 9.56182455 _cell_angle_alpha 89.99999867 _cell_angle_beta 89.82715113 _cell_angle_gamma 119.98740456 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Al24Ir5Os3 _chemical_formula_sum 'Ca6 Al24 Ir5 Os3' _cell_volume 642.01978993 _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 Ca Ca0 1 0.19258893 0.38717313 0.25055998 1.0 Ca Ca1 1 0.80741107 0.61282687 0.74944002 1.0 Ca Ca2 1 0.61443980 0.80721940 0.25012962 1.0 Ca Ca3 1 0.38556020 0.19278060 0.74987038 1.0 Ca Ca4 1 0.19258893 0.80541780 0.25055998 1.0 Ca Ca5 1 0.80741107 0.19458220 0.74944002 1.0 Al Al6 1 0.33333094 0.66666597 0.99795767 1.0 Al Al7 1 0.66666906 0.33333403 0.00204233 1.0 Al Al8 1 0.66790808 0.33395404 0.49979927 1.0 Al Al9 1 0.33209192 0.66604596 0.50020073 1.0 Al Al10 1 0.16070933 0.32465099 0.57480204 1.0 Al Al11 1 0.83929067 0.67534901 0.42519796 1.0 Al Al12 1 0.67543344 0.83771622 0.57486209 1.0 Al Al13 1 0.83761069 0.67578786 0.07517146 1.0 Al Al14 1 0.32456656 0.16228378 0.42513791 1.0 Al Al15 1 0.16238931 0.32421214 0.92482854 1.0 Al Al16 1 0.16070933 0.83605934 0.57480204 1.0 Al Al17 1 0.32396531 0.16198216 0.07547645 1.0 Al Al18 1 0.83929067 0.16394066 0.42519796 1.0 Al Al19 1 0.67603469 0.83801784 0.92452355 1.0 Al Al20 1 0.83761069 0.16182284 0.07517146 1.0 Al Al21 1 0.16238931 0.83817716 0.92482854 1.0 Al Al22 1 0.56172818 0.12363633 0.24982884 1.0 Al Al23 1 0.43827182 0.87636367 0.75017116 1.0 Al Al24 1 0.87607870 0.43803935 0.25054675 1.0 Al Al25 1 0.12392130 0.56196065 0.74945325 1.0 Al Al26 1 0.56172818 0.43808984 0.24982884 1.0 Al Al27 1 0.43827182 0.56191016 0.75017116 1.0 Al Al28 1 0.00028381 0.00014241 0.25003241 1.0 Al Al29 1 0.99971619 0.99985759 0.74996759 1.0 Ir Ir30 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir31 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir32 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir33 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir34 1 0.50000000 0.50000000 0.50000000 1.0 Os Os35 1 0.00000000 0.50000000 0.50000000 1.0 Os Os36 1 0.00000000 0.00000000 0.00000000 1.0 Os Os37 1 0.00000000 0.00000000 0.50000000 1.0