# generated using pymatgen data_Ti6Tc5As6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51338205 _cell_length_b 7.53681650 _cell_length_c 7.53681723 _cell_angle_alpha 127.78521212 _cell_angle_beta 122.86264581 _cell_angle_gamma 81.13412205 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Tc5As6Pd _chemical_formula_sum 'Ti6 Tc5 As6 Pd1' _cell_volume 272.90329593 _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 0.46052513 0.25213280 0.27427018 1.0 Ti Ti1 1 0.53947487 0.81374405 0.79160767 1.0 Ti Ti2 1 0.75469701 0.65238946 0.40896292 1.0 Ti Ti3 1 0.24530299 0.65426591 0.89769145 1.0 Ti Ti4 1 0.04781703 0.84748773 0.29374948 1.0 Ti Ti5 1 0.95218297 0.24593244 0.79967070 1.0 Tc Tc6 1 0.66241720 0.50070826 0.91048907 1.0 Tc Tc7 1 0.33758280 0.24807287 0.83829306 1.0 Tc Tc8 1 0.91456637 0.25016794 0.41778805 1.0 Tc Tc9 1 0.08543363 0.50322168 0.33560257 1.0 Tc Tc10 1 1.00000000 0.99512817 0.99512817 1.0 As As11 1 0.83340892 0.57959186 0.74739230 1.0 As As12 1 0.16659108 0.91398138 0.74618195 1.0 As As13 1 0.67342254 0.91344358 0.25143190 1.0 As As14 1 0.32657746 0.57800836 0.24002104 1.0 As As15 1 0.27797916 0.28097650 0.49798592 1.0 As As16 1 0.72202084 0.22000676 0.00299834 1.0 Pd Pd17 1 0.50000000 0.99113726 0.49113726 1.0