# generated using pymatgen data_Sc8Ta12SiGe15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80284058 _cell_length_b 6.97968587 _cell_length_c 13.20200827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.90360644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ta12SiGe15 _chemical_formula_sum 'Sc8 Ta12 Si1 Ge15' _cell_volume 626.85278020 _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 0.49136506 0.67306919 0.59520602 1.0 Sc Sc1 1 0.99106177 0.82289834 0.90449238 1.0 Sc Sc2 1 0.50900778 0.32408029 0.09426676 1.0 Sc Sc3 1 0.00959401 0.17620989 0.40540259 1.0 Sc Sc4 1 0.50900778 0.32408029 0.40573324 1.0 Sc Sc5 1 0.00959401 0.17620989 0.09459741 1.0 Sc Sc6 1 0.49136506 0.67306919 0.90479398 1.0 Sc Sc7 1 0.99106177 0.82289834 0.59550762 1.0 Ta Ta8 1 0.65030078 0.17570964 0.62668018 1.0 Ta Ta9 1 0.16028610 0.32899430 0.87335835 1.0 Ta Ta10 1 0.34441935 0.82852961 0.12592023 1.0 Ta Ta11 1 0.84443815 0.67170394 0.37434022 1.0 Ta Ta12 1 0.34441935 0.82852961 0.37407977 1.0 Ta Ta13 1 0.84443815 0.67170394 0.12565978 1.0 Ta Ta14 1 0.65030078 0.17570964 0.87331982 1.0 Ta Ta15 1 0.16028610 0.32899430 0.62664165 1.0 Ta Ta16 1 0.82761637 0.48914100 0.75000000 1.0 Ta Ta17 1 0.33155757 0.01375536 0.75000000 1.0 Ta Ta18 1 0.16854700 0.51142216 0.25000000 1.0 Ta Ta19 1 0.66829831 0.98855499 0.25000000 1.0 Si Si20 1 0.45381844 0.38737993 0.75000000 1.0 Ge Ge21 1 0.68411459 0.96618541 0.46098812 1.0 Ge Ge22 1 0.18409225 0.53428746 0.03957916 1.0 Ge Ge23 1 0.31531682 0.03294097 0.96056020 1.0 Ge Ge24 1 0.81773301 0.46527362 0.53968877 1.0 Ge Ge25 1 0.31531682 0.03294097 0.53943980 1.0 Ge Ge26 1 0.81773301 0.46527362 0.96031123 1.0 Ge Ge27 1 0.68411459 0.96618541 0.03901188 1.0 Ge Ge28 1 0.18409225 0.53428746 0.46042084 1.0 Ge Ge29 1 0.95367028 0.11289903 0.75000000 1.0 Ge Ge30 1 0.54492765 0.61089348 0.25000000 1.0 Ge Ge31 1 0.04438713 0.88926873 0.25000000 1.0 Ge Ge32 1 0.68921315 0.85284771 0.75000000 1.0 Ge Ge33 1 0.19377076 0.64397470 0.75000000 1.0 Ge Ge34 1 0.31046996 0.14824593 0.25000000 1.0 Ge Ge35 1 0.81026501 0.35184867 0.25000000 1.0