# generated using pymatgen data_Ti12AlTc5Os6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36481778 _cell_length_b 6.21027542 _cell_length_c 13.09404377 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99952173 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12AlTc5Os6 _chemical_formula_sum 'Ti12 Al1 Tc5 Os6' _cell_volume 354.93658536 _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 0.50000000 0.25971901 0.00000000 1.0 Ti Ti1 1 0.50000000 0.74028199 0.00000000 1.0 Ti Ti2 1 0.00002280 0.25384085 0.17091889 1.0 Ti Ti3 1 0.00002280 0.74615815 0.17091889 1.0 Ti Ti4 1 0.50001684 0.24984881 0.33425426 1.0 Ti Ti5 1 0.50001684 0.75015119 0.33425426 1.0 Ti Ti6 1 0.00000000 0.24942062 0.50000000 1.0 Ti Ti7 1 0.00000000 0.75057938 0.50000000 1.0 Ti Ti8 1 0.49998416 0.24984881 0.66574574 1.0 Ti Ti9 1 0.49998416 0.75015119 0.66574574 1.0 Ti Ti10 1 0.99997720 0.25384085 0.82908211 1.0 Ti Ti11 1 0.99997720 0.74615815 0.82908211 1.0 Al Al12 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc13 1 0.50001805 0.49999900 0.16698346 1.0 Tc Tc14 1 0.00001815 0.00000000 0.33201787 1.0 Tc Tc15 1 0.50000100 0.49999900 0.50000000 1.0 Tc Tc16 1 0.99998085 0.00000000 0.66798213 1.0 Tc Tc17 1 0.49998295 0.49999900 0.83301654 1.0 Os Os18 1 0.00000000 0.49999900 0.00000000 1.0 Os Os19 1 0.50002523 0.00000000 0.16152589 1.0 Os Os20 1 0.00001185 0.49999900 0.33393764 1.0 Os Os21 1 0.50000100 0.00000000 0.50000000 1.0 Os Os22 1 0.99999015 0.49999900 0.66606336 1.0 Os Os23 1 0.49997377 0.00000000 0.83847511 1.0