# generated using pymatgen data_Sc8FeSi16Tc11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58156642 _cell_length_b 6.60098716 _cell_length_c 12.27386155 _cell_angle_alpha 89.95814886 _cell_angle_beta 89.60720372 _cell_angle_gamma 90.17563255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8FeSi16Tc11 _chemical_formula_sum 'Sc8 Fe1 Si16 Tc11' _cell_volume 533.22070831 _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 0.99947209 0.65983584 0.03154883 1.0 Sc Sc1 1 0.83938593 0.50552937 0.28095211 1.0 Sc Sc2 1 0.15932370 0.49560782 0.78179054 1.0 Sc Sc3 1 0.50980297 0.84778528 0.71549247 1.0 Sc Sc4 1 0.48810901 0.15773461 0.22109858 1.0 Sc Sc5 1 0.99479784 0.34984333 0.53330499 1.0 Sc Sc6 1 0.65422851 0.00768795 0.96763953 1.0 Sc Sc7 1 0.34166169 0.00052453 0.47214239 1.0 Fe Fe8 1 0.80461667 0.02910924 0.36233881 1.0 Si Si9 1 0.27634626 0.97144427 0.06428236 1.0 Si Si10 1 0.52956405 0.78879672 0.31835033 1.0 Si Si11 1 0.47794482 0.22812028 0.80969218 1.0 Si Si12 1 0.77285714 0.52486704 0.69031198 1.0 Si Si13 1 0.21039296 0.46618061 0.18517333 1.0 Si Si14 1 0.74118211 0.02046869 0.55318406 1.0 Si Si15 1 0.97452952 0.27550936 0.93775424 1.0 Si Si16 1 0.02314665 0.73630462 0.43542695 1.0 Si Si17 1 0.69106158 0.37614157 0.06899293 1.0 Si Si18 1 0.10803210 0.18966019 0.32022407 1.0 Si Si19 1 0.88042991 0.80686907 0.81803282 1.0 Si Si20 1 0.19717189 0.12142742 0.68212643 1.0 Si Si21 1 0.80200020 0.87985161 0.18771610 1.0 Si Si22 1 0.31041470 0.61747405 0.56304017 1.0 Si Si23 1 0.37982289 0.69255452 0.93597156 1.0 Si Si24 1 0.62967210 0.29758795 0.42871622 1.0 Tc Tc25 1 0.32985234 0.33037242 0.00037092 1.0 Tc Tc26 1 0.16306513 0.83502294 0.25584835 1.0 Tc Tc27 1 0.83483909 0.17016662 0.74983842 1.0 Tc Tc28 1 0.67088140 0.67050276 0.49650043 1.0 Tc Tc29 1 0.97417274 0.17931203 0.13211878 1.0 Tc Tc30 1 0.32978622 0.47426911 0.37346528 1.0 Tc Tc31 1 0.68701282 0.52239560 0.88607853 1.0 Tc Tc32 1 0.48685392 0.31045725 0.61147201 1.0 Tc Tc33 1 0.51242182 0.67223633 0.12825164 1.0 Tc Tc34 1 0.02738584 0.81173349 0.63244054 1.0 Tc Tc35 1 0.18776137 0.97661449 0.86830913 1.0