# generated using pymatgen data_Sc8Be5Si11Tc12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44147742 _cell_length_b 6.53014477 _cell_length_c 12.25891282 _cell_angle_alpha 89.90973879 _cell_angle_beta 90.05834675 _cell_angle_gamma 90.06145110 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Be5Si11Tc12 _chemical_formula_sum 'Sc8 Be5 Si11 Tc12' _cell_volume 515.65501016 _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 0.49383688 0.33731887 0.09629126 1.0 Sc Sc1 1 0.99114685 0.15775231 0.40750032 1.0 Sc Sc2 1 0.51015134 0.66630094 0.59379414 1.0 Sc Sc3 1 0.00557331 0.83775090 0.90306113 1.0 Sc Sc4 1 0.50714057 0.66247509 0.90301760 1.0 Sc Sc5 1 0.99894566 0.84565871 0.59363895 1.0 Sc Sc6 1 0.49565549 0.33501686 0.40810440 1.0 Sc Sc7 1 0.99327641 0.16207940 0.09574205 1.0 Be Be8 1 0.65328582 0.04166040 0.54711737 1.0 Be Be9 1 0.53386828 0.35975304 0.74791718 1.0 Be Be10 1 0.03403806 0.14122829 0.74943044 1.0 Be Be11 1 0.46651581 0.63882682 0.25027453 1.0 Be Be12 1 0.96625904 0.85960160 0.24978008 1.0 Si Si13 1 0.16027182 0.45630480 0.95267965 1.0 Si Si14 1 0.33999219 0.95580818 0.04725409 1.0 Si Si15 1 0.83988397 0.54245492 0.45405130 1.0 Si Si16 1 0.35069409 0.95834665 0.45538093 1.0 Si Si17 1 0.83985882 0.54466835 0.04759051 1.0 Si Si18 1 0.66016218 0.04364026 0.95116878 1.0 Si Si19 1 0.15919463 0.45908566 0.54862302 1.0 Si Si20 1 0.80207575 0.63203882 0.74736437 1.0 Si Si21 1 0.30120273 0.86828295 0.74756848 1.0 Si Si22 1 0.19867665 0.36643617 0.25246923 1.0 Si Si23 1 0.69873672 0.13192693 0.25169981 1.0 Tc Tc24 1 0.82602176 0.33380803 0.62414325 1.0 Tc Tc25 1 0.32827700 0.16015287 0.87628688 1.0 Tc Tc26 1 0.17247768 0.65877402 0.12419596 1.0 Tc Tc27 1 0.67098111 0.83310155 0.37314380 1.0 Tc Tc28 1 0.17216686 0.66366745 0.37684970 1.0 Tc Tc29 1 0.67137237 0.84069621 0.12315408 1.0 Tc Tc30 1 0.82821918 0.34184754 0.87707181 1.0 Tc Tc31 1 0.32918736 0.16322665 0.62394788 1.0 Tc Tc32 1 0.66761246 0.99119292 0.74919586 1.0 Tc Tc33 1 0.16705810 0.51070241 0.75009652 1.0 Tc Tc34 1 0.33276659 0.00963064 0.25045126 1.0 Tc Tc35 1 0.83341647 0.48878280 0.24994340 1.0