# generated using pymatgen data_Th8Sc12Si15Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25985570 _cell_length_b 7.54885798 _cell_length_c 14.10901924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.12702171 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th8Sc12Si15Tc _chemical_formula_sum 'Th8 Sc12 Si15 Tc1' _cell_volume 773.22342342 _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 Th Th0 1 0.00658080 0.17821151 0.09619549 1.0 Th Th1 1 0.99748376 0.82965710 0.90133256 1.0 Th Th2 1 0.49704103 0.67137065 0.90405272 1.0 Th Th3 1 0.99748376 0.82965710 0.59866744 1.0 Th Th4 1 0.50408625 0.32830915 0.09527778 1.0 Th Th5 1 0.00658080 0.17821151 0.40380451 1.0 Th Th6 1 0.50408625 0.32830915 0.40472222 1.0 Th Th7 1 0.49704103 0.67137065 0.59594728 1.0 Sc Sc8 1 0.16232496 0.49860351 0.75000000 1.0 Sc Sc9 1 0.83523299 0.49961089 0.25000000 1.0 Sc Sc10 1 0.33528456 0.00615190 0.25000000 1.0 Sc Sc11 1 0.66906687 0.00016303 0.75000000 1.0 Sc Sc12 1 0.32204684 0.17159411 0.62834823 1.0 Sc Sc13 1 0.66634531 0.82712799 0.37362130 1.0 Sc Sc14 1 0.16518632 0.67682317 0.37516614 1.0 Sc Sc15 1 0.66634531 0.82712799 0.12637870 1.0 Sc Sc16 1 0.84363115 0.31812265 0.62827320 1.0 Sc Sc17 1 0.32204684 0.17159411 0.87165177 1.0 Sc Sc18 1 0.84363115 0.31812265 0.87172680 1.0 Sc Sc19 1 0.16518632 0.67682317 0.12483386 1.0 Si Si20 1 0.96434179 0.88033170 0.25000000 1.0 Si Si21 1 0.46199274 0.62393757 0.25000000 1.0 Si Si22 1 0.53751931 0.38183926 0.75000000 1.0 Si Si23 1 0.29701655 0.87057937 0.75000000 1.0 Si Si24 1 0.70522073 0.12766890 0.25000000 1.0 Si Si25 1 0.20625590 0.37890636 0.25000000 1.0 Si Si26 1 0.78756479 0.61953867 0.75000000 1.0 Si Si27 1 0.16409483 0.46616319 0.53928455 1.0 Si Si28 1 0.83849956 0.53814295 0.46102496 1.0 Si Si29 1 0.34179492 0.96425616 0.46164518 1.0 Si Si30 1 0.83849956 0.53814295 0.03897504 1.0 Si Si31 1 0.65629646 0.03561053 0.53795395 1.0 Si Si32 1 0.16409483 0.46616319 0.96071545 1.0 Si Si33 1 0.65629646 0.03561053 0.96204605 1.0 Si Si34 1 0.34179492 0.96425616 0.03835482 1.0 Tc Tc35 1 0.03200736 0.10188653 0.75000000 1.0