# generated using pymatgen data_Ti4TcMoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21407057 _cell_length_b 4.38100033 _cell_length_c 8.75920875 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99995406 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4TcMoIr2 _chemical_formula_sum 'Ti8 Tc2 Mo2 Ir4' _cell_volume 238.45934332 _cell_formula_units_Z 2 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 0.00033546 0.74999900 0.12452135 1.0 Ti Ti1 1 0.49968978 0.74999900 0.12451915 1.0 Ti Ti2 1 0.99967408 0.24999900 0.37547874 1.0 Ti Ti3 1 0.50035627 0.24999900 0.37548135 1.0 Ti Ti4 1 0.50020990 0.74999900 0.62515503 1.0 Ti Ti5 1 0.99976175 0.74999900 0.62515289 1.0 Ti Ti6 1 0.49978703 0.24999900 0.87484465 1.0 Ti Ti7 1 0.00018853 0.24999900 0.87484690 1.0 Tc Tc8 1 0.74994997 0.24999900 0.62600829 1.0 Tc Tc9 1 0.25002925 0.74999900 0.87399422 1.0 Mo Mo10 1 0.74997951 0.24999900 0.12400497 1.0 Mo Mo11 1 0.25004108 0.74999900 0.37599427 1.0 Ir Ir12 1 0.25003130 0.24999900 0.12360574 1.0 Ir Ir13 1 0.74999152 0.74999900 0.37639208 1.0 Ir Ir14 1 0.25000723 0.24999900 0.62653456 1.0 Ir Ir15 1 0.74996536 0.74999900 0.87346681 1.0