# generated using pymatgen data_Ta2Ti17Si16Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66535180 _cell_length_b 6.66535130 _cell_length_c 12.17886110 _cell_angle_alpha 89.87770965 _cell_angle_beta 90.12228752 _cell_angle_gamma 89.99749979 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Ti17Si16Tc _chemical_formula_sum 'Ta2 Ti17 Si16 Tc1' _cell_volume 541.06671604 _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 Ta Ta0 1 0.32796754 0.67136141 0.24821938 1.0 Ta Ta1 1 0.67136141 0.32796754 0.75178062 1.0 Ti Ti2 1 0.99625132 0.14909161 0.62342863 1.0 Ti Ti3 1 0.35244601 0.49748791 0.87100530 1.0 Ti Ti4 1 0.64919033 0.50513829 0.37160777 1.0 Ti Ti5 1 0.49748791 0.35244601 0.12899470 1.0 Ti Ti6 1 0.50513829 0.64919033 0.62839223 1.0 Ti Ti7 1 0.00558016 0.84868168 0.11995080 1.0 Ti Ti8 1 0.14909161 0.99625132 0.37657137 1.0 Ti Ti9 1 0.84868168 0.00558016 0.88004920 1.0 Ti Ti10 1 0.00249989 0.34526556 0.22117212 1.0 Ti Ti11 1 0.15689109 0.50302182 0.46884875 1.0 Ti Ti12 1 0.83731917 0.49829351 0.97098150 1.0 Ti Ti13 1 0.50302182 0.15689109 0.53115125 1.0 Ti Ti14 1 0.49829351 0.83731917 0.02901850 1.0 Ti Ti15 1 0.99771640 0.65727008 0.72116300 1.0 Ti Ti16 1 0.34526556 0.00249989 0.77882788 1.0 Ti Ti17 1 0.65727008 0.99771640 0.27883700 1.0 Ti Ti18 1 0.83002504 0.83002504 0.50000000 1.0 Si Si19 1 0.04897376 0.29997345 0.81599873 1.0 Si Si20 1 0.19601182 0.53842494 0.06083705 1.0 Si Si21 1 0.80386097 0.45629102 0.56246034 1.0 Si Si22 1 0.53842494 0.19601182 0.93916295 1.0 Si Si23 1 0.45629102 0.80386097 0.43753966 1.0 Si Si24 1 0.95275367 0.70017747 0.31423172 1.0 Si Si25 1 0.29997345 0.04897376 0.18400127 1.0 Si Si26 1 0.70017747 0.95275367 0.68576828 1.0 Si Si27 1 0.29187736 0.35962683 0.67267839 1.0 Si Si28 1 0.14002366 0.79401311 0.92136405 1.0 Si Si29 1 0.85848039 0.20624766 0.42392351 1.0 Si Si30 1 0.79401311 0.14002366 0.07863595 1.0 Si Si31 1 0.20624766 0.85848039 0.57607649 1.0 Si Si32 1 0.70854006 0.64176143 0.17299058 1.0 Si Si33 1 0.35962683 0.29187736 0.32732161 1.0 Si Si34 1 0.64176143 0.70854006 0.82700942 1.0 Tc Tc35 1 0.17146558 0.17146558 1.00000000 1.0