# generated using pymatgen data_Lu5Tc6P12Ir13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.53552584 _cell_length_b 12.53552599 _cell_length_c 3.94740519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999699 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Tc6P12Ir13 _chemical_formula_sum 'Lu5 Tc6 P12 Ir13' _cell_volume 537.18944541 _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 Lu Lu0 1 0.33333300 0.66666700 0.50000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.50000000 1.0 Lu Lu2 1 0.99991329 0.81296729 0.00000000 1.0 Lu Lu3 1 0.18703271 0.18694501 0.00000000 1.0 Lu Lu4 1 0.81305499 0.00008671 0.00000000 1.0 Tc Tc5 1 0.98801740 0.44565317 0.50000000 1.0 Tc Tc6 1 0.55434683 0.54236423 0.50000000 1.0 Tc Tc7 1 0.45763577 0.01198260 0.50000000 1.0 Tc Tc8 1 0.61998343 0.79892905 0.50000000 1.0 Tc Tc9 1 0.20107095 0.82105338 0.50000000 1.0 Tc Tc10 1 0.17894662 0.38001657 0.50000000 1.0 P P11 1 0.00786828 0.64018031 0.50000000 1.0 P P12 1 0.35981969 0.36768897 0.50000000 1.0 P P13 1 0.63231103 0.99213172 0.50000000 1.0 P P14 1 0.52076941 0.69375998 0.00000000 1.0 P P15 1 0.30624002 0.82700843 0.00000000 1.0 P P16 1 0.17299157 0.47923059 0.00000000 1.0 P P17 1 0.48301906 0.16723116 0.00000000 1.0 P P18 1 0.68421310 0.51698094 0.00000000 1.0 P P19 1 0.83276884 0.31578690 0.00000000 1.0 P P20 1 0.00503582 0.18245433 0.50000000 1.0 P P21 1 0.81754567 0.82258049 0.50000000 1.0 P P22 1 0.17741951 0.99496418 0.50000000 1.0 Ir Ir23 1 0.50595068 0.87381230 0.00000000 1.0 Ir Ir24 1 0.12618770 0.63213938 0.00000000 1.0 Ir Ir25 1 0.36786062 0.49404932 0.00000000 1.0 Ir Ir26 1 0.49398990 0.35586566 0.00000000 1.0 Ir Ir27 1 0.86187676 0.50601010 0.00000000 1.0 Ir Ir28 1 0.64413434 0.13812324 0.00000000 1.0 Ir Ir29 1 0.99483897 0.28021619 0.00000000 1.0 Ir Ir30 1 0.71978381 0.71462378 0.00000000 1.0 Ir Ir31 1 0.28537622 0.00516103 0.00000000 1.0 Ir Ir32 1 0.37067645 0.18518403 0.50000000 1.0 Ir Ir33 1 0.81450758 0.62932355 0.50000000 1.0 Ir Ir34 1 0.81481597 0.18549242 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0