# generated using pymatgen data_Ta3(CrSi)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81201500 _cell_length_b 13.08823200 _cell_length_c 15.66958600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3(CrSi)8 _chemical_formula_sum 'Ta12 Cr32 Si32' _cell_volume 986.88257161 _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 Ta Ta0 1 0.25000000 0.56423400 0.30503100 1.0 Ta Ta1 1 0.25000000 0.06423400 0.19496900 1.0 Ta Ta2 1 0.75000000 0.43576600 0.69496900 1.0 Ta Ta3 1 0.75000000 0.93576600 0.80503100 1.0 Ta Ta4 1 0.25000000 0.86512300 0.45791500 1.0 Ta Ta5 1 0.25000000 0.36512300 0.04208500 1.0 Ta Ta6 1 0.75000000 0.13487700 0.54208500 1.0 Ta Ta7 1 0.75000000 0.63487700 0.95791500 1.0 Ta Ta8 1 0.25000000 0.75143900 0.02826600 1.0 Ta Ta9 1 0.25000000 0.25143900 0.47173400 1.0 Ta Ta10 1 0.75000000 0.24856100 0.97173400 1.0 Ta Ta11 1 0.75000000 0.74856100 0.52826600 1.0 Cr Cr12 1 0.99304800 0.86643300 0.17216900 1.0 Cr Cr13 1 0.50695200 0.36643300 0.32783100 1.0 Cr Cr14 1 0.49304800 0.13356700 0.82783100 1.0 Cr Cr15 1 0.00695200 0.63356700 0.67216900 1.0 Cr Cr16 1 0.00695200 0.13356700 0.82783100 1.0 Cr Cr17 1 0.49304800 0.63356700 0.67216900 1.0 Cr Cr18 1 0.50695200 0.86643300 0.17216900 1.0 Cr Cr19 1 0.99304800 0.36643300 0.32783100 1.0 Cr Cr20 1 0.01039100 0.56022200 0.12243800 1.0 Cr Cr21 1 0.48960900 0.06022200 0.37756200 1.0 Cr Cr22 1 0.51039100 0.43977800 0.87756200 1.0 Cr Cr23 1 0.98960900 0.93977800 0.62243800 1.0 Cr Cr24 1 0.98960900 0.43977800 0.87756200 1.0 Cr Cr25 1 0.51039100 0.93977800 0.62243800 1.0 Cr Cr26 1 0.48960900 0.56022200 0.12243800 1.0 Cr Cr27 1 0.01039100 0.06022200 0.37756200 1.0 Cr Cr28 1 0.25000000 0.63705100 0.84513000 1.0 Cr Cr29 1 0.25000000 0.13705100 0.65487000 1.0 Cr Cr30 1 0.75000000 0.36294900 0.15487000 1.0 Cr Cr31 1 0.75000000 0.86294900 0.34513000 1.0 Cr Cr32 1 0.25000000 0.95694300 0.90562200 1.0 Cr Cr33 1 0.25000000 0.45694300 0.59437800 1.0 Cr Cr34 1 0.75000000 0.04305700 0.09437800 1.0 Cr Cr35 1 0.75000000 0.54305700 0.40562200 1.0 Cr Cr36 1 0.25000000 0.62430000 0.50693300 1.0 Cr Cr37 1 0.25000000 0.12430000 0.99306700 1.0 Cr Cr38 1 0.75000000 0.37570000 0.49306700 1.0 Cr Cr39 1 0.75000000 0.87570000 0.00693300 1.0 Cr Cr40 1 0.25000000 0.81245600 0.75068900 1.0 Cr Cr41 1 0.25000000 0.31245600 0.74931100 1.0 Cr Cr42 1 0.75000000 0.18754400 0.24931100 1.0 Cr Cr43 1 0.75000000 0.68754400 0.25068900 1.0 Si Si44 1 0.99930500 0.71128600 0.38183000 1.0 Si Si45 1 0.50069500 0.21128500 0.11817000 1.0 Si Si46 1 0.49930500 0.28871400 0.61817000 1.0 Si Si47 1 0.00069500 0.78871400 0.88183000 1.0 Si Si48 1 0.00069500 0.28871400 0.61817000 1.0 Si Si49 1 0.49930500 0.78871400 0.88183000 1.0 Si Si50 1 0.50069500 0.71128600 0.38183000 1.0 Si Si51 1 0.99930500 0.21128500 0.11817000 1.0 Si Si52 1 0.25000000 0.70970800 0.19498900 1.0 Si Si53 1 0.25000000 0.20970800 0.30501100 1.0 Si Si54 1 0.75000000 0.29029200 0.80501100 1.0 Si Si55 1 0.75000000 0.79029200 0.69498900 1.0 Si Si56 1 0.25000000 0.91008200 0.30091700 1.0 Si Si57 1 0.25000000 0.41008200 0.19908300 1.0 Si Si58 1 0.75000000 0.08991800 0.69908300 1.0 Si Si59 1 0.75000000 0.58991800 0.80091700 1.0 Si Si60 1 0.25000000 0.55024400 0.98169300 1.0 Si Si61 1 0.25000000 0.05024400 0.51830700 1.0 Si Si62 1 0.75000000 0.44975600 0.01830700 1.0 Si Si63 1 0.75000000 0.94975600 0.48169300 1.0 Si Si64 1 0.25000000 0.95281500 0.05612900 1.0 Si Si65 1 0.25000000 0.45281500 0.44387100 1.0 Si Si66 1 0.75000000 0.04718500 0.94387100 1.0 Si Si67 1 0.75000000 0.54718500 0.55612900 1.0 Si Si68 1 0.25000000 0.77442700 0.60406700 1.0 Si Si69 1 0.25000000 0.27442700 0.89593300 1.0 Si Si70 1 0.75000000 0.22557300 0.39593300 1.0 Si Si71 1 0.75000000 0.72557300 0.10406700 1.0 Si Si72 1 0.25000000 0.99674600 0.75170800 1.0 Si Si73 1 0.25000000 0.49674600 0.74829200 1.0 Si Si74 1 0.75000000 0.00325400 0.24829200 1.0 Si Si75 1 0.75000000 0.50325400 0.25170800 1.0