# generated using pymatgen data_Ti19Si16Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65982598 _cell_length_b 6.65982598 _cell_length_c 12.14324650 _cell_angle_alpha 89.89400405 _cell_angle_beta 90.10599595 _cell_angle_gamma 90.01711462 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti19Si16Tc _chemical_formula_sum 'Ti19 Si16 Tc1' _cell_volume 538.59097072 _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 Ti Ti0 1 0.99629293 0.14857175 0.62355786 1.0 Ti Ti1 1 0.35136873 0.49782612 0.87093196 1.0 Ti Ti2 1 0.64970685 0.50399009 0.37147672 1.0 Ti Ti3 1 0.49782612 0.35136873 0.12906804 1.0 Ti Ti4 1 0.50399009 0.64970685 0.62852328 1.0 Ti Ti5 1 0.00553135 0.84971141 0.12014464 1.0 Ti Ti6 1 0.14857175 0.99629293 0.37644214 1.0 Ti Ti7 1 0.84971141 0.00553135 0.87985536 1.0 Ti Ti8 1 0.00285130 0.34529113 0.21959579 1.0 Ti Ti9 1 0.15563342 0.50240703 0.46886354 1.0 Ti Ti10 1 0.83999203 0.49818506 0.97025862 1.0 Ti Ti11 1 0.50240703 0.15563342 0.53113646 1.0 Ti Ti12 1 0.49818506 0.83999203 0.02974138 1.0 Ti Ti13 1 0.99802851 0.65663998 0.71955616 1.0 Ti Ti14 1 0.34529113 0.00285130 0.78040421 1.0 Ti Ti15 1 0.65663998 0.99802851 0.28044384 1.0 Ti Ti16 1 0.32859045 0.67075789 0.24814081 1.0 Ti Ti17 1 0.67075789 0.32859045 0.75185919 1.0 Ti Ti18 1 0.82879336 0.82879336 0.50000000 1.0 Si Si19 1 0.04649082 0.30056163 0.81512636 1.0 Si Si20 1 0.19898826 0.54064895 0.06281955 1.0 Si Si21 1 0.80118155 0.45446805 0.56386567 1.0 Si Si22 1 0.54064895 0.19898826 0.93718045 1.0 Si Si23 1 0.45446805 0.80118155 0.43613433 1.0 Si Si24 1 0.95530237 0.69871447 0.31341359 1.0 Si Si25 1 0.30056163 0.04649082 0.18487364 1.0 Si Si26 1 0.69871447 0.95530237 0.68658641 1.0 Si Si27 1 0.29439321 0.35792958 0.67340364 1.0 Si Si28 1 0.14057627 0.79388195 0.92156275 1.0 Si Si29 1 0.85814532 0.20606601 0.42413775 1.0 Si Si30 1 0.79388195 0.14057627 0.07843725 1.0 Si Si31 1 0.20606601 0.85814532 0.57586225 1.0 Si Si32 1 0.70623911 0.64374793 0.17362065 1.0 Si Si33 1 0.35792958 0.29439321 0.32659636 1.0 Si Si34 1 0.64374793 0.70623911 0.82637935 1.0 Tc Tc35 1 0.17249615 0.17249615 0.00000000 1.0