# generated using pymatgen data_Sc2Al3Mo4C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43491500 _cell_length_b 5.39734600 _cell_length_c 13.54778700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al3Mo4C3 _chemical_formula_sum 'Sc8 Al12 Mo16 C12' _cell_volume 689.90074126 _cell_formula_units_Z 4 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 0.00000000 0.16257600 0.10977100 1.0 Sc Sc1 1 0.00000000 0.83742400 0.89022900 1.0 Sc Sc2 1 0.00000000 0.16257600 0.39022900 1.0 Sc Sc3 1 0.00000000 0.83742400 0.60977100 1.0 Sc Sc4 1 0.50000000 0.66257600 0.10977100 1.0 Sc Sc5 1 0.50000000 0.33742400 0.89022900 1.0 Sc Sc6 1 0.50000000 0.66257600 0.39022900 1.0 Sc Sc7 1 0.50000000 0.33742400 0.60977100 1.0 Al Al8 1 0.00000000 0.69000900 0.25000000 1.0 Al Al9 1 0.00000000 0.30999100 0.75000000 1.0 Al Al10 1 0.50000000 0.19000900 0.25000000 1.0 Al Al11 1 0.50000000 0.80999100 0.75000000 1.0 Al Al12 1 0.75774500 0.41776300 0.25000000 1.0 Al Al13 1 0.75774500 0.58223700 0.75000000 1.0 Al Al14 1 0.24225500 0.41776300 0.25000000 1.0 Al Al15 1 0.24225500 0.58223700 0.75000000 1.0 Al Al16 1 0.25774500 0.91776300 0.25000000 1.0 Al Al17 1 0.25774500 0.08223700 0.75000000 1.0 Al Al18 1 0.74225500 0.91776300 0.25000000 1.0 Al Al19 1 0.74225500 0.08223700 0.75000000 1.0 Mo Mo20 1 0.16163900 0.32831400 0.57897500 1.0 Mo Mo21 1 0.16163900 0.67168600 0.42102500 1.0 Mo Mo22 1 0.83836100 0.32831400 0.92102500 1.0 Mo Mo23 1 0.83836100 0.67168600 0.07897500 1.0 Mo Mo24 1 0.83836100 0.67168600 0.42102500 1.0 Mo Mo25 1 0.83836100 0.32831400 0.57897500 1.0 Mo Mo26 1 0.16163900 0.67168600 0.07897500 1.0 Mo Mo27 1 0.16163900 0.32831400 0.92102500 1.0 Mo Mo28 1 0.66163900 0.82831400 0.57897500 1.0 Mo Mo29 1 0.66163900 0.17168600 0.42102500 1.0 Mo Mo30 1 0.33836100 0.82831400 0.92102500 1.0 Mo Mo31 1 0.33836100 0.17168600 0.07897500 1.0 Mo Mo32 1 0.33836100 0.17168600 0.42102500 1.0 Mo Mo33 1 0.33836100 0.82831400 0.57897500 1.0 Mo Mo34 1 0.66163900 0.17168600 0.07897500 1.0 Mo Mo35 1 0.66163900 0.82831400 0.92102500 1.0 C C36 1 0.83275600 0.00000000 0.00000000 1.0 C C37 1 0.16724400 0.00000000 0.50000000 1.0 C C38 1 0.16724400 0.00000000 0.00000000 1.0 C C39 1 0.83275600 0.00000000 0.50000000 1.0 C C40 1 0.33275600 0.50000000 0.00000000 1.0 C C41 1 0.66724400 0.50000000 0.50000000 1.0 C C42 1 0.66724400 0.50000000 0.00000000 1.0 C C43 1 0.33275600 0.50000000 0.50000000 1.0 C C44 1 0.00000000 0.50000000 0.00000000 1.0 C C45 1 0.00000000 0.50000000 0.50000000 1.0 C C46 1 0.50000000 0.00000000 0.00000000 1.0 C C47 1 0.50000000 0.00000000 0.50000000 1.0