# generated using pymatgen data_Yb3Sc(Si4Tc3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71655426 _cell_length_b 6.72212789 _cell_length_c 12.40859582 _cell_angle_alpha 89.91521628 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb3Sc(Si4Tc3)2 _chemical_formula_sum 'Yb6 Sc2 Si16 Tc12' _cell_volume 560.24173890 _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 Yb Yb0 1 0.49180426 0.34708686 0.08947424 1.0 Yb Yb1 1 0.99180426 0.15291314 0.41052576 1.0 Yb Yb2 1 0.50852942 0.65830559 0.58896453 1.0 Yb Yb3 1 0.00852942 0.84169441 0.91103547 1.0 Yb Yb4 1 0.50878993 0.65849290 0.91144268 1.0 Yb Yb5 1 0.00878993 0.84150710 0.58855732 1.0 Sc Sc6 1 0.49086950 0.33105400 0.40497314 1.0 Sc Sc7 1 0.99086950 0.16894600 0.09502686 1.0 Si Si8 1 0.65057115 0.05032753 0.55016590 1.0 Si Si9 1 0.15057115 0.44967247 0.94983410 1.0 Si Si10 1 0.33997332 0.95618854 0.04918369 1.0 Si Si11 1 0.83997332 0.54381146 0.45081631 1.0 Si Si12 1 0.35084364 0.94752736 0.44632449 1.0 Si Si13 1 0.85084364 0.55247264 0.05367551 1.0 Si Si14 1 0.65404141 0.04781607 0.95188885 1.0 Si Si15 1 0.15404141 0.45218393 0.54811115 1.0 Si Si16 1 0.53042446 0.35471244 0.74965411 1.0 Si Si17 1 0.03042446 0.14528756 0.75034589 1.0 Si Si18 1 0.47148496 0.64607479 0.25935747 1.0 Si Si19 1 0.97148496 0.85392521 0.24064253 1.0 Si Si20 1 0.81308282 0.63887399 0.75024427 1.0 Si Si21 1 0.31308282 0.86112601 0.74975573 1.0 Si Si22 1 0.18985615 0.35918800 0.25059878 1.0 Si Si23 1 0.68985615 0.14081200 0.24940122 1.0 Tc Tc24 1 0.82644847 0.34802187 0.62704390 1.0 Tc Tc25 1 0.32644847 0.15197813 0.87295610 1.0 Tc Tc26 1 0.18769662 0.65066554 0.12638918 1.0 Tc Tc27 1 0.68769662 0.84933446 0.37361082 1.0 Tc Tc28 1 0.16386254 0.64628053 0.37243743 1.0 Tc Tc29 1 0.66386254 0.85371947 0.12756257 1.0 Tc Tc30 1 0.82466221 0.34524962 0.87633402 1.0 Tc Tc31 1 0.32466221 0.15475038 0.62366598 1.0 Tc Tc32 1 0.67246924 0.99742063 0.75037583 1.0 Tc Tc33 1 0.17246924 0.50257937 0.74962417 1.0 Tc Tc34 1 0.32458989 0.00854519 0.25080503 1.0 Tc Tc35 1 0.82458989 0.49145481 0.24919497 1.0