# generated using pymatgen data_Sc6Al16Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74979022 _cell_length_b 8.74979022 _cell_length_c 8.74979022 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Al16Ru7 _chemical_formula_sum 'Sc6 Al16 Ru7' _cell_volume 473.67223071 _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 0.71005200 0.71005200 0.28994800 1.0 Sc Sc1 1 0.28994800 0.71005200 0.28994800 1.0 Sc Sc2 1 0.71005200 0.28994800 0.28994800 1.0 Sc Sc3 1 0.28994800 0.28994800 0.71005200 1.0 Sc Sc4 1 0.71005200 0.28994800 0.71005200 1.0 Sc Sc5 1 0.28994800 0.71005200 0.71005200 1.0 Al Al6 1 0.87954200 0.87954200 0.36137400 1.0 Al Al7 1 0.87954200 0.36137400 0.87954200 1.0 Al Al8 1 0.36137400 0.87954200 0.87954200 1.0 Al Al9 1 0.87954200 0.87954200 0.87954200 1.0 Al Al10 1 0.12045800 0.12045800 0.63862600 1.0 Al Al11 1 0.12045800 0.63862600 0.12045800 1.0 Al Al12 1 0.63862600 0.12045800 0.12045800 1.0 Al Al13 1 0.12045800 0.12045800 0.12045800 1.0 Al Al14 1 0.66373000 0.66373000 0.00881000 1.0 Al Al15 1 0.66373000 0.00881000 0.66373000 1.0 Al Al16 1 0.00881000 0.66373000 0.66373000 1.0 Al Al17 1 0.66373000 0.66373000 0.66373000 1.0 Al Al18 1 0.33627000 0.33627000 0.99119000 1.0 Al Al19 1 0.33627000 0.99119000 0.33627000 1.0 Al Al20 1 0.99119000 0.33627000 0.33627000 1.0 Al Al21 1 0.33627000 0.33627000 0.33627000 1.0 Ru Ru22 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru23 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru24 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru25 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru26 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru27 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.00000000 1.0