# generated using pymatgen data_Tm8Ti9Si16Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90560301 _cell_length_b 6.90560262 _cell_length_c 12.69889136 _cell_angle_alpha 90.06304248 _cell_angle_beta 89.93695516 _cell_angle_gamma 90.08967637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti9Si16Tc3 _chemical_formula_sum 'Tm8 Ti9 Si16 Tc3' _cell_volume 605.57500566 _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 Tm Tm0 1 0.33959908 0.00102171 0.46693231 1.0 Tm Tm1 1 0.49902302 0.84145499 0.71979753 1.0 Tm Tm2 1 0.49941359 0.15850146 0.21772213 1.0 Tm Tm3 1 0.84145499 0.49902302 0.28020247 1.0 Tm Tm4 1 0.15850146 0.49941359 0.78227787 1.0 Tm Tm5 1 0.65997710 0.00070249 0.96817203 1.0 Tm Tm6 1 0.00102171 0.33959908 0.53306769 1.0 Tm Tm7 1 0.00070249 0.65997710 0.03182797 1.0 Ti Ti8 1 0.67339720 0.67339720 0.50000000 1.0 Ti Ti9 1 0.15152716 0.00551922 0.87668102 1.0 Ti Ti10 1 0.49439539 0.65301876 0.12468095 1.0 Ti Ti11 1 0.50409438 0.34930764 0.62758650 1.0 Ti Ti12 1 0.65301876 0.49439539 0.87531905 1.0 Ti Ti13 1 0.34930764 0.50409438 0.37241350 1.0 Ti Ti14 1 0.84777894 0.99220381 0.37592562 1.0 Ti Ti15 1 0.00551922 0.15152716 0.12331898 1.0 Ti Ti16 1 0.99220381 0.84777894 0.62407438 1.0 Si Si17 1 0.20117243 0.13050163 0.68383575 1.0 Si Si18 1 0.36975510 0.70166677 0.93275262 1.0 Si Si19 1 0.63323682 0.29688522 0.43455851 1.0 Si Si20 1 0.70166677 0.36975510 0.06724738 1.0 Si Si21 1 0.29688522 0.63323682 0.56544149 1.0 Si Si22 1 0.79794391 0.86899001 0.18320702 1.0 Si Si23 1 0.13050163 0.20117243 0.31616425 1.0 Si Si24 1 0.86899001 0.79794391 0.81679298 1.0 Si Si25 1 0.29225427 0.95230073 0.06601253 1.0 Si Si26 1 0.54702150 0.79114861 0.31530087 1.0 Si Si27 1 0.45162444 0.20899830 0.81671221 1.0 Si Si28 1 0.79114861 0.54702150 0.68469913 1.0 Si Si29 1 0.20899830 0.45162444 0.18328779 1.0 Si Si30 1 0.70593213 0.04906424 0.56763693 1.0 Si Si31 1 0.95230073 0.29225427 0.93398747 1.0 Si Si32 1 0.04906424 0.70593213 0.43236307 1.0 Tc Tc33 1 0.32757906 0.32757906 0.00000000 1.0 Tc Tc34 1 0.17412086 0.82886502 0.24815276 1.0 Tc Tc35 1 0.82886502 0.17412086 0.75184724 1.0