# generated using pymatgen data_Sc4NbSi8Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63158330 _cell_length_b 6.63530281 _cell_length_c 12.49329218 _cell_angle_alpha 89.63933317 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4NbSi8Tc5 _chemical_formula_sum 'Sc8 Nb2 Si16 Tc10' _cell_volume 549.72598899 _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 0.00896955 0.65999494 0.03341596 1.0 Sc Sc1 1 0.99192930 0.34329111 0.52982624 1.0 Sc Sc2 1 0.34445008 0.98903469 0.46640318 1.0 Sc Sc3 1 0.15822249 0.49374831 0.78146256 1.0 Sc Sc4 1 0.84445008 0.51096531 0.28359682 1.0 Sc Sc5 1 0.49192930 0.15670889 0.22017376 1.0 Sc Sc6 1 0.50896955 0.84000506 0.71658404 1.0 Sc Sc7 1 0.65822249 0.00625169 0.96853744 1.0 Nb Nb8 1 0.33649771 0.33581811 0.00139298 1.0 Nb Nb9 1 0.83649771 0.16418189 0.74860702 1.0 Si Si10 1 0.02105905 0.73082105 0.44065864 1.0 Si Si11 1 0.61865795 0.30437186 0.42931546 1.0 Si Si12 1 0.37439551 0.70619427 0.92854515 1.0 Si Si13 1 0.20491049 0.12587365 0.67773892 1.0 Si Si14 1 0.30430963 0.62049845 0.57110545 1.0 Si Si15 1 0.70491049 0.37412635 0.07226108 1.0 Si Si16 1 0.80430963 0.87950155 0.17889455 1.0 Si Si17 1 0.11865795 0.19562814 0.32068454 1.0 Si Si18 1 0.96783106 0.28634353 0.94066678 1.0 Si Si19 1 0.72477867 0.01980629 0.55344133 1.0 Si Si20 1 0.22477867 0.48019371 0.19655867 1.0 Si Si21 1 0.78187088 0.53372902 0.68480474 1.0 Si Si22 1 0.46783106 0.21365647 0.80933322 1.0 Si Si23 1 0.52105905 0.76917895 0.30934136 1.0 Si Si24 1 0.28187088 0.96627098 0.06519526 1.0 Si Si25 1 0.87439551 0.79380573 0.82145485 1.0 Tc Tc26 1 0.66788963 0.66550542 0.49877356 1.0 Tc Tc27 1 0.16788963 0.83449458 0.25122644 1.0 Tc Tc28 1 0.01606368 0.82285600 0.63389843 1.0 Tc Tc29 1 0.99491901 0.18684148 0.13509025 1.0 Tc Tc30 1 0.80794830 0.01921372 0.36099312 1.0 Tc Tc31 1 0.30794830 0.48078628 0.38900688 1.0 Tc Tc32 1 0.67529601 0.50417719 0.88121921 1.0 Tc Tc33 1 0.49491901 0.31315852 0.61490975 1.0 Tc Tc34 1 0.51606368 0.67714400 0.11610157 1.0 Tc Tc35 1 0.17529601 0.99582281 0.86878079 1.0