# generated using pymatgen data_Ti6Al2Re3Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39833092 _cell_length_b 6.27865513 _cell_length_c 13.26324722 _cell_angle_alpha 90.00001072 _cell_angle_beta 89.99542365 _cell_angle_gamma 89.99986469 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Al2Re3Tc _chemical_formula_sum 'Ti12 Al4 Re6 Tc2' _cell_volume 366.27256805 _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 0.49996765 0.24451230 0.00445630 1.0 Ti Ti1 1 0.49997658 0.75548423 0.00445589 1.0 Ti Ti2 1 0.99985864 0.25548305 0.16220824 1.0 Ti Ti3 1 0.99984794 0.74451568 0.16220762 1.0 Ti Ti4 1 0.49972920 0.25844261 0.32653865 1.0 Ti Ti5 1 0.49974516 0.74155710 0.32653828 1.0 Ti Ti6 1 0.99999768 0.24742435 0.49966582 1.0 Ti Ti7 1 0.99999272 0.75257672 0.49966706 1.0 Ti Ti8 1 0.50026735 0.25257671 0.66700596 1.0 Ti Ti9 1 0.50027094 0.74742338 0.66700543 1.0 Ti Ti10 1 0.00017250 0.24155221 0.84013930 1.0 Ti Ti11 1 0.00015930 0.75844608 0.84013952 1.0 Al Al12 1 0.99967346 0.99999683 0.33068891 1.0 Al Al13 1 0.49999320 0.50000034 0.49789038 1.0 Al Al14 1 0.00034052 0.99999843 0.66877166 1.0 Al Al15 1 0.50020142 0.49999965 0.83598049 1.0 Re Re16 1 0.99996092 0.49999916 0.99395696 1.0 Re Re17 1 0.49986355 0.99999941 0.17268751 1.0 Re Re18 1 0.99978836 0.50000478 0.33860040 1.0 Re Re19 1 0.49999887 0.00000694 0.50060118 1.0 Re Re20 1 0.00022040 0.49999663 0.66608418 1.0 Re Re21 1 0.50012896 0.99999921 0.82807033 1.0 Tc Tc22 1 0.99998542 0.99999841 0.00017343 1.0 Tc Tc23 1 0.49984328 0.50000081 0.16646750 1.0