# generated using pymatgen data_Zr8Tc4Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54965493 _cell_length_b 4.63649142 _cell_length_c 9.27009660 _cell_angle_alpha 89.99996981 _cell_angle_beta 89.99884921 _cell_angle_gamma 90.00019213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Tc4Ir3Ru _chemical_formula_sum 'Zr8 Tc4 Ir3 Ru1' _cell_volume 281.50890620 _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 Zr Zr0 1 0.99898062 0.74999900 0.12317185 1.0 Zr Zr1 1 0.50136510 0.74999900 0.12315727 1.0 Zr Zr2 1 0.50033802 0.24999900 0.37499618 1.0 Zr Zr3 1 0.00003403 0.24999800 0.37499329 1.0 Zr Zr4 1 0.99862669 0.74999800 0.62685240 1.0 Zr Zr5 1 0.50101318 0.75000000 0.62682689 1.0 Zr Zr6 1 0.50215066 0.24999800 0.87498971 1.0 Zr Zr7 1 0.99751970 0.24999800 0.87500461 1.0 Tc Tc8 1 0.75011828 0.25000000 0.12599250 1.0 Tc Tc9 1 0.25011575 0.74999800 0.37499988 1.0 Tc Tc10 1 0.74987676 0.24999900 0.62400611 1.0 Tc Tc11 1 0.24988393 0.74999900 0.87500095 1.0 Ir Ir12 1 0.25013055 0.24999900 0.12537410 1.0 Ir Ir13 1 0.75014182 0.75000000 0.37500090 1.0 Ir Ir14 1 0.24986138 0.25000000 0.62461644 1.0 Ru Ru15 1 0.74984153 0.74999900 0.87501492 1.0