# generated using pymatgen data_ScCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97048900 _cell_length_b 9.19316900 _cell_length_c 10.12956600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoGe2 _chemical_formula_sum 'Sc12 Co12 Ge24' _cell_volume 742.23434977 _cell_formula_units_Z 12 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 0.33569300 0.32208800 1.0 Sc Sc1 1 0.00000000 0.66430700 0.67791200 1.0 Sc Sc2 1 0.00000000 0.83569300 0.17791200 1.0 Sc Sc3 1 0.00000000 0.16430700 0.82208800 1.0 Sc Sc4 1 0.23811400 0.67414200 0.95198300 1.0 Sc Sc5 1 0.23811400 0.32585800 0.04801700 1.0 Sc Sc6 1 0.76188600 0.17414200 0.54801700 1.0 Sc Sc7 1 0.76188600 0.82585800 0.45198300 1.0 Sc Sc8 1 0.76188600 0.32585800 0.04801700 1.0 Sc Sc9 1 0.76188600 0.67414200 0.95198300 1.0 Sc Sc10 1 0.23811400 0.82585800 0.45198300 1.0 Sc Sc11 1 0.23811400 0.17414200 0.54801700 1.0 Co Co12 1 0.75257300 0.00000000 0.00000000 1.0 Co Co13 1 0.24742700 0.50000000 0.50000000 1.0 Co Co14 1 0.24742700 0.00000000 0.00000000 1.0 Co Co15 1 0.75257300 0.50000000 0.50000000 1.0 Co Co16 1 0.25324200 0.08967300 0.25404300 1.0 Co Co17 1 0.25324200 0.91032700 0.74595700 1.0 Co Co18 1 0.74675800 0.58967300 0.24595700 1.0 Co Co19 1 0.74675800 0.41032700 0.75404300 1.0 Co Co20 1 0.74675800 0.91032700 0.74595700 1.0 Co Co21 1 0.74675800 0.08967300 0.25404300 1.0 Co Co22 1 0.25324200 0.41032700 0.75404300 1.0 Co Co23 1 0.25324200 0.58967300 0.24595700 1.0 Ge Ge24 1 0.50000000 0.54198700 0.12311200 1.0 Ge Ge25 1 0.50000000 0.45801300 0.87688800 1.0 Ge Ge26 1 0.50000000 0.04198700 0.37688800 1.0 Ge Ge27 1 0.50000000 0.95801300 0.62311200 1.0 Ge Ge28 1 0.00000000 0.04067900 0.37627300 1.0 Ge Ge29 1 0.00000000 0.95932100 0.62372700 1.0 Ge Ge30 1 0.00000000 0.54067900 0.12372700 1.0 Ge Ge31 1 0.00000000 0.45932100 0.87627300 1.0 Ge Ge32 1 0.50000000 0.12714800 0.09581200 1.0 Ge Ge33 1 0.50000000 0.87285200 0.90418800 1.0 Ge Ge34 1 0.50000000 0.62714800 0.40418800 1.0 Ge Ge35 1 0.50000000 0.37285200 0.59581200 1.0 Ge Ge36 1 0.65678300 0.34174500 0.31934000 1.0 Ge Ge37 1 0.65678300 0.65825500 0.68066000 1.0 Ge Ge38 1 0.34321700 0.84174500 0.18066000 1.0 Ge Ge39 1 0.34321700 0.15825500 0.81934000 1.0 Ge Ge40 1 0.34321700 0.65825500 0.68066000 1.0 Ge Ge41 1 0.34321700 0.34174500 0.31934000 1.0 Ge Ge42 1 0.65678300 0.15825500 0.81934000 1.0 Ge Ge43 1 0.65678300 0.84174500 0.18066000 1.0 Ge Ge44 1 0.00000000 0.37363500 0.60366000 1.0 Ge Ge45 1 0.00000000 0.62636500 0.39634000 1.0 Ge Ge46 1 0.00000000 0.87363500 0.89634000 1.0 Ge Ge47 1 0.00000000 0.12636500 0.10366000 1.0