# generated using pymatgen data_Ti12Tc6Ir5Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37029701 _cell_length_b 6.17493160 _cell_length_c 13.10908458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00014313 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12Tc6Ir5Os _chemical_formula_sum 'Ti12 Tc6 Ir5 Os1' _cell_volume 353.76549424 _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 0.49999898 0.24867688 0.99834669 1.0 Ti Ti1 1 0.49999898 0.75132412 0.99834669 1.0 Ti Ti2 1 0.00003349 0.25002655 0.16621970 1.0 Ti Ti3 1 0.00003349 0.74997245 0.16621970 1.0 Ti Ti4 1 0.50003207 0.25014619 0.33335786 1.0 Ti Ti5 1 0.50003207 0.74985381 0.33335786 1.0 Ti Ti6 1 0.00000165 0.25003006 0.50047321 1.0 Ti Ti7 1 0.00000165 0.74996994 0.50047321 1.0 Ti Ti8 1 0.49996901 0.24867217 0.66829523 1.0 Ti Ti9 1 0.49996901 0.75132783 0.66829523 1.0 Ti Ti10 1 0.99996901 0.24749625 0.83330965 1.0 Ti Ti11 1 0.99996901 0.75250275 0.83330965 1.0 Tc Tc12 1 0.00000001 0.00000000 0.00123211 1.0 Tc Tc13 1 0.50002753 0.49999900 0.16709952 1.0 Tc Tc14 1 0.00001736 0.00000000 0.33336816 1.0 Tc Tc15 1 0.50000133 0.49999900 0.49960326 1.0 Tc Tc16 1 0.99997012 0.00000000 0.66540385 1.0 Tc Tc17 1 0.49998220 0.49999900 0.83330140 1.0 Ir Ir18 1 0.00000118 0.49999900 0.00036691 1.0 Ir Ir19 1 0.50001479 0.00000000 0.16714086 1.0 Ir Ir20 1 0.00003041 0.49999900 0.33335805 1.0 Ir Ir21 1 0.49999943 0.00000000 0.49952267 1.0 Ir Ir22 1 0.99997095 0.49999900 0.66631047 1.0 Os Os23 1 0.49997729 0.00000000 0.83329205 1.0