# generated using pymatgen data_Sc6Al16IrOs6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72443250 _cell_length_b 8.72443290 _cell_length_c 8.72443276 _cell_angle_alpha 60.00000054 _cell_angle_beta 59.99999904 _cell_angle_gamma 60.00000302 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Al16IrOs6 _chemical_formula_sum 'Sc6 Al16 Ir1 Os6' _cell_volume 469.56595812 _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 Sc Sc0 1 0.21422463 0.78577537 0.78577537 1.0 Sc Sc1 1 0.78577537 0.21422463 0.21422463 1.0 Sc Sc2 1 0.78577537 0.21422463 0.78577537 1.0 Sc Sc3 1 0.78577537 0.78577537 0.21422463 1.0 Sc Sc4 1 0.21422463 0.78577537 0.21422463 1.0 Sc Sc5 1 0.21422463 0.21422463 0.78577537 1.0 Al Al6 1 0.83702149 0.83702149 0.83702149 1.0 Al Al7 1 0.83702149 0.83702149 0.48893752 1.0 Al Al8 1 0.48893752 0.83702149 0.83702149 1.0 Al Al9 1 0.83702149 0.48893752 0.83702149 1.0 Al Al10 1 0.16297851 0.16297851 0.16297851 1.0 Al Al11 1 0.16297851 0.16297851 0.51106248 1.0 Al Al12 1 0.16297851 0.51106248 0.16297851 1.0 Al Al13 1 0.51106248 0.16297851 0.16297851 1.0 Al Al14 1 0.62130098 0.62130098 0.62130098 1.0 Al Al15 1 0.62130098 0.62130098 0.13609605 1.0 Al Al16 1 0.13609605 0.62130098 0.62130098 1.0 Al Al17 1 0.62130098 0.13609605 0.62130098 1.0 Al Al18 1 0.37869902 0.37869902 0.37869902 1.0 Al Al19 1 0.37869902 0.37869902 0.86390395 1.0 Al Al20 1 0.37869902 0.86390395 0.37869902 1.0 Al Al21 1 0.86390395 0.37869902 0.37869902 1.0 Ir Ir22 1 0.50000000 0.50000000 0.50000000 1.0 Os Os23 1 0.00000000 0.50000000 0.50000000 1.0 Os Os24 1 0.50000000 0.00000000 0.00000000 1.0 Os Os25 1 0.50000000 0.00000000 0.50000000 1.0 Os Os26 1 0.50000000 0.50000000 0.00000000 1.0 Os Os27 1 0.00000000 0.50000000 0.00000000 1.0 Os Os28 1 0.00000000 0.00000000 0.50000000 1.0