# generated using pymatgen data_Er5Tc6P12Ir13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55574331 _cell_length_b 12.55574352 _cell_length_c 3.96341545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999689 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Tc6P12Ir13 _chemical_formula_sum 'Er5 Tc6 P12 Ir13' _cell_volume 541.10943655 _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 Er Er0 1 0.33333300 0.66666700 0.50000000 1.0 Er Er1 1 0.66666700 0.33333300 0.50000000 1.0 Er Er2 1 0.00017989 0.81255116 0.00000000 1.0 Er Er3 1 0.18744884 0.18762773 0.00000000 1.0 Er Er4 1 0.81237227 0.99982011 0.00000000 1.0 Tc Tc5 1 0.98882016 0.44588806 0.50000000 1.0 Tc Tc6 1 0.55411194 0.54293210 0.50000000 1.0 Tc Tc7 1 0.45706790 0.01117984 0.50000000 1.0 Tc Tc8 1 0.61984245 0.79861759 0.50000000 1.0 Tc Tc9 1 0.20138241 0.82122486 0.50000000 1.0 Tc Tc10 1 0.17877514 0.38015755 0.50000000 1.0 P P11 1 0.00764082 0.63932314 0.50000000 1.0 P P12 1 0.36067686 0.36831868 0.50000000 1.0 P P13 1 0.63168132 0.99235918 0.50000000 1.0 P P14 1 0.52126246 0.69403519 0.00000000 1.0 P P15 1 0.30596481 0.82722627 0.00000000 1.0 P P16 1 0.17277373 0.47873754 0.00000000 1.0 P P17 1 0.48276125 0.16749472 0.00000000 1.0 P P18 1 0.68473447 0.51723875 0.00000000 1.0 P P19 1 0.83250528 0.31526553 0.00000000 1.0 P P20 1 0.00449026 0.18277049 0.50000000 1.0 P P21 1 0.81722951 0.82171977 0.50000000 1.0 P P22 1 0.17828023 0.99550974 0.50000000 1.0 Ir Ir23 1 0.50648467 0.87447224 0.00000000 1.0 Ir Ir24 1 0.12552776 0.63201342 0.00000000 1.0 Ir Ir25 1 0.36798658 0.49351533 0.00000000 1.0 Ir Ir26 1 0.49383006 0.35666618 0.00000000 1.0 Ir Ir27 1 0.86283612 0.50616994 0.00000000 1.0 Ir Ir28 1 0.64333382 0.13716388 0.00000000 1.0 Ir Ir29 1 0.99498168 0.28099098 0.00000000 1.0 Ir Ir30 1 0.71900902 0.71399070 0.00000000 1.0 Ir Ir31 1 0.28600930 0.00501832 0.00000000 1.0 Ir Ir32 1 0.37241204 0.18516833 0.50000000 1.0 Ir Ir33 1 0.81275529 0.62758796 0.50000000 1.0 Ir Ir34 1 0.81483167 0.18724471 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0