# generated using pymatgen data_TaTi18Si16Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66205193 _cell_length_b 6.66205240 _cell_length_c 12.16007012 _cell_angle_alpha 89.83323764 _cell_angle_beta 90.16675883 _cell_angle_gamma 90.03634615 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi18Si16Tc _chemical_formula_sum 'Ta1 Ti18 Si16 Tc1' _cell_volume 539.69497333 _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 0.82862977 0.82862977 0.50000000 1.0 Ti Ti1 1 0.99585259 0.14820296 0.62403165 1.0 Ti Ti2 1 0.35106150 0.49800207 0.87087305 1.0 Ti Ti3 1 0.65035218 0.50458728 0.37112266 1.0 Ti Ti4 1 0.49800207 0.35106150 0.12912695 1.0 Ti Ti5 1 0.50458728 0.65035218 0.62887734 1.0 Ti Ti6 1 0.00598220 0.84986010 0.11971425 1.0 Ti Ti7 1 0.14820296 0.99585259 0.37596835 1.0 Ti Ti8 1 0.84986010 0.00598220 0.88028575 1.0 Ti Ti9 1 0.00302139 0.34325575 0.21996697 1.0 Ti Ti10 1 0.15520601 0.50250840 0.46947796 1.0 Ti Ti11 1 0.83999071 0.49866871 0.97107257 1.0 Ti Ti12 1 0.50250840 0.15520601 0.53052204 1.0 Ti Ti13 1 0.49866871 0.83999071 0.02892743 1.0 Ti Ti14 1 0.99739587 0.65796396 0.72039017 1.0 Ti Ti15 1 0.34325575 0.00302139 0.78003303 1.0 Ti Ti16 1 0.65796396 0.99739587 0.27960983 1.0 Ti Ti17 1 0.32956675 0.67050077 0.24771372 1.0 Ti Ti18 1 0.67050077 0.32956675 0.75228628 1.0 Si Si19 1 0.04592904 0.30159239 0.81554179 1.0 Si Si20 1 0.19890977 0.54037370 0.06290807 1.0 Si Si21 1 0.80040601 0.45208575 0.56491518 1.0 Si Si22 1 0.54037370 0.19890977 0.93709193 1.0 Si Si23 1 0.45208575 0.80040601 0.43508482 1.0 Si Si24 1 0.95724264 0.69670525 0.31131313 1.0 Si Si25 1 0.30159239 0.04592904 0.18445821 1.0 Si Si26 1 0.69670525 0.95724264 0.68868687 1.0 Si Si27 1 0.29458698 0.35789061 0.67367308 1.0 Si Si28 1 0.14033223 0.79372929 0.92169020 1.0 Si Si29 1 0.85928605 0.20803206 0.42328589 1.0 Si Si30 1 0.79372929 0.14033223 0.07830980 1.0 Si Si31 1 0.20803206 0.85928605 0.57671411 1.0 Si Si32 1 0.70625160 0.64350710 0.17296099 1.0 Si Si33 1 0.35789061 0.29458698 0.32632692 1.0 Si Si34 1 0.64350710 0.70625160 0.82703901 1.0 Tc Tc35 1 0.17253456 0.17253456 1.00000000 1.0