# generated using pymatgen data_Ti2Tc3Sb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44829177 _cell_length_b 6.29086242 _cell_length_c 13.32492324 _cell_angle_alpha 89.99124494 _cell_angle_beta 89.99856193 _cell_angle_gamma 90.00024347 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Tc3Sb2Ru _chemical_formula_sum 'Ti6 Tc9 Sb6 Ru3' _cell_volume 372.87920471 _cell_formula_units_Z 3 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 0.00000033 0.99869783 0.99904291 1.0 Ti Ti1 1 0.49993485 0.50202860 0.16853326 1.0 Ti Ti2 1 0.99993910 0.99897904 0.33395157 1.0 Ti Ti3 1 0.49999550 0.50008798 0.49989295 1.0 Ti Ti4 1 0.00005439 0.00038274 0.66684842 1.0 Ti Ti5 1 0.50005448 0.50017012 0.83173244 1.0 Tc Tc6 1 0.99994663 0.74856479 0.16476185 1.0 Tc Tc7 1 0.49993983 0.25092091 0.33142455 1.0 Tc Tc8 1 0.49994584 0.74931876 0.33180527 1.0 Tc Tc9 1 0.99999579 0.24977842 0.49951962 1.0 Tc Tc10 1 0.99999446 0.75089264 0.50001756 1.0 Tc Tc11 1 0.50004571 0.25073743 0.66736624 1.0 Tc Tc12 1 0.50005017 0.74925434 0.66718059 1.0 Tc Tc13 1 0.00005145 0.24981968 0.83597247 1.0 Tc Tc14 1 0.00005366 0.75083620 0.83549003 1.0 Sb Sb15 1 0.99999338 0.50013766 0.99989979 1.0 Sb Sb16 1 0.50000319 0.99935710 0.16729785 1.0 Sb Sb17 1 0.99995523 0.50033810 0.33324037 1.0 Sb Sb18 1 0.49999431 0.00035708 0.49963409 1.0 Sb Sb19 1 0.00003695 0.49967893 0.66725203 1.0 Sb Sb20 1 0.50009011 0.00013193 0.83263745 1.0 Ru Ru21 1 0.49999610 0.24802345 0.00132907 1.0 Ru Ru22 1 0.49999511 0.75182214 0.00045857 1.0 Ru Ru23 1 0.99993844 0.24968313 0.16471605 1.0