# generated using pymatgen data_Sc5Si8Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67132500 _cell_length_b 6.68930910 _cell_length_c 12.42513000 _cell_angle_alpha 90.11487852 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si8Tc5 _chemical_formula_sum 'Sc10 Si16 Tc10' _cell_volume 554.48963319 _cell_formula_units_Z 2 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 0.00973020 0.66067424 0.03366045 1.0 Sc Sc1 1 0.99579713 0.34385186 0.52871452 1.0 Sc Sc2 1 0.34670315 0.98936409 0.46417253 1.0 Sc Sc3 1 0.16257864 0.49881191 0.77926853 1.0 Sc Sc4 1 0.84670315 0.51063591 0.28582747 1.0 Sc Sc5 1 0.49579713 0.15614814 0.22128548 1.0 Sc Sc6 1 0.50973020 0.83932576 0.71633955 1.0 Sc Sc7 1 0.66257864 0.00118809 0.97073147 1.0 Sc Sc8 1 0.33431663 0.33740753 0.00369965 1.0 Sc Sc9 1 0.83431663 0.16259247 0.74630035 1.0 Si Si10 1 0.01938640 0.73690926 0.44163877 1.0 Si Si11 1 0.61511319 0.30684420 0.43192166 1.0 Si Si12 1 0.37040407 0.71121584 0.92597499 1.0 Si Si13 1 0.21115461 0.12633869 0.67853402 1.0 Si Si14 1 0.30603707 0.62491367 0.57182479 1.0 Si Si15 1 0.71115461 0.37366131 0.07146598 1.0 Si Si16 1 0.80603707 0.87508633 0.17817521 1.0 Si Si17 1 0.11511319 0.19315580 0.31807834 1.0 Si Si18 1 0.96095159 0.29809085 0.93786619 1.0 Si Si19 1 0.72840162 0.01979127 0.54958741 1.0 Si Si20 1 0.22840162 0.48020873 0.20041259 1.0 Si Si21 1 0.78950675 0.54440939 0.68153330 1.0 Si Si22 1 0.46095159 0.20190915 0.81213381 1.0 Si Si23 1 0.51938640 0.76309074 0.30836123 1.0 Si Si24 1 0.28950675 0.95559061 0.06846670 1.0 Si Si25 1 0.87040407 0.78878416 0.82402501 1.0 Tc Tc26 1 0.66747677 0.66845419 0.49564679 1.0 Tc Tc27 1 0.16747677 0.83154581 0.25435321 1.0 Tc Tc28 1 0.01580140 0.82923515 0.63633630 1.0 Tc Tc29 1 0.00414441 0.17591606 0.12719649 1.0 Tc Tc30 1 0.80134925 0.02533855 0.35767791 1.0 Tc Tc31 1 0.30134925 0.47466145 0.39232209 1.0 Tc Tc32 1 0.66114713 0.49341997 0.87451578 1.0 Tc Tc33 1 0.50414441 0.32408394 0.62280351 1.0 Tc Tc34 1 0.51580140 0.67076485 0.11366370 1.0 Tc Tc35 1 0.16114713 0.00658003 0.87548422 1.0