# generated using pymatgen data_Sc2Ge4Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73433700 _cell_length_b 6.93193000 _cell_length_c 12.90821200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ge4Mo3 _chemical_formula_sum 'Sc8 Ge16 Mo12' _cell_volume 602.58054177 _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 0.48974200 0.67357700 0.59226700 1.0 Sc Sc1 1 0.98974200 0.82642300 0.90773300 1.0 Sc Sc2 1 0.51025800 0.32642300 0.09226700 1.0 Sc Sc3 1 0.01025800 0.17357700 0.40773300 1.0 Sc Sc4 1 0.51025800 0.32642300 0.40773300 1.0 Sc Sc5 1 0.01025800 0.17357700 0.09226700 1.0 Sc Sc6 1 0.48974200 0.67357700 0.90773300 1.0 Sc Sc7 1 0.98974200 0.82642300 0.59226700 1.0 Ge Ge8 1 0.67814500 0.96045100 0.45536000 1.0 Ge Ge9 1 0.17814500 0.53954900 0.04464000 1.0 Ge Ge10 1 0.32185500 0.03954900 0.95536000 1.0 Ge Ge11 1 0.82185500 0.46045100 0.54464000 1.0 Ge Ge12 1 0.32185500 0.03954900 0.54464000 1.0 Ge Ge13 1 0.82185500 0.46045100 0.95536000 1.0 Ge Ge14 1 0.67814500 0.96045100 0.04464000 1.0 Ge Ge15 1 0.17814500 0.53954900 0.45536000 1.0 Ge Ge16 1 0.46446700 0.37775200 0.75000000 1.0 Ge Ge17 1 0.96446700 0.12224800 0.75000000 1.0 Ge Ge18 1 0.53553300 0.62224800 0.25000000 1.0 Ge Ge19 1 0.03553300 0.87775200 0.25000000 1.0 Ge Ge20 1 0.68948900 0.85214900 0.75000000 1.0 Ge Ge21 1 0.18948900 0.64785100 0.75000000 1.0 Ge Ge22 1 0.31051100 0.14785100 0.25000000 1.0 Ge Ge23 1 0.81051100 0.35214900 0.25000000 1.0 Mo Mo24 1 0.66358700 0.16144800 0.62546000 1.0 Mo Mo25 1 0.16358700 0.33855200 0.87454000 1.0 Mo Mo26 1 0.33641300 0.83855200 0.12546000 1.0 Mo Mo27 1 0.83641300 0.66144800 0.37454000 1.0 Mo Mo28 1 0.33641300 0.83855200 0.37454000 1.0 Mo Mo29 1 0.83641300 0.66144800 0.12546000 1.0 Mo Mo30 1 0.66358700 0.16144800 0.87454000 1.0 Mo Mo31 1 0.16358700 0.33855200 0.62546000 1.0 Mo Mo32 1 0.83137500 0.50003800 0.75000000 1.0 Mo Mo33 1 0.33137500 0.99996200 0.75000000 1.0 Mo Mo34 1 0.16862500 0.49996200 0.25000000 1.0 Mo Mo35 1 0.66862500 0.00003800 0.25000000 1.0