# generated using pymatgen data_Tb5Sc(P2Ir3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63828413 _cell_length_b 12.82017875 _cell_length_c 3.95918498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.47725162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Sc(P2Ir3)6 _chemical_formula_sum 'Tb5 Sc1 P12 Ir18' _cell_volume 552.85329204 _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 Tb Tb0 1 0.32895130 0.66469165 0.50000000 1.0 Tb Tb1 1 0.67104870 0.33573935 0.50000000 1.0 Tb Tb2 1 0.00000000 0.81433983 0.00000000 1.0 Tb Tb3 1 0.18471816 0.18657489 0.00000000 1.0 Tb Tb4 1 0.81528184 0.00185573 0.00000000 1.0 Sc Sc5 1 1.00000000 0.44344409 0.50000000 1.0 P P6 1 0.00000000 0.64522198 0.50000000 1.0 P P7 1 0.35815462 0.35280661 0.50000000 1.0 P P8 1 0.64184538 0.99465199 0.50000000 1.0 P P9 1 0.51507466 0.68944283 0.00000000 1.0 P P10 1 0.31104768 0.83059922 0.00000000 1.0 P P11 1 0.16777271 0.48325968 0.00000000 1.0 P P12 1 0.48492534 0.17436817 0.00000000 1.0 P P13 1 0.68895232 0.51955153 0.00000000 1.0 P P14 1 0.83222729 0.31548697 0.00000000 1.0 P P15 1 0.00000000 0.17564498 0.50000000 1.0 P P16 1 0.82012613 0.82137788 0.50000000 1.0 P P17 1 0.17987387 0.00125175 0.50000000 1.0 Ir Ir18 1 0.50780647 0.86990953 0.00000000 1.0 Ir Ir19 1 0.13188934 0.64312236 0.00000000 1.0 Ir Ir20 1 0.35998635 0.49609041 0.00000000 1.0 Ir Ir21 1 0.49219353 0.36210206 0.00000000 1.0 Ir Ir22 1 0.86811066 0.51123202 0.00000000 1.0 Ir Ir23 1 0.64001365 0.13610307 0.00000000 1.0 Ir Ir24 1 0.53423465 0.53517422 0.50000000 1.0 Ir Ir25 1 0.46576535 0.00093957 0.50000000 1.0 Ir Ir26 1 0.00000000 0.27963782 0.00000000 1.0 Ir Ir27 1 0.71539282 0.71791089 0.00000000 1.0 Ir Ir28 1 0.28460718 0.00251807 0.00000000 1.0 Ir Ir29 1 0.61853128 0.79929353 0.50000000 1.0 Ir Ir30 1 0.19939740 0.82665911 0.50000000 1.0 Ir Ir31 1 0.18439496 0.37372994 0.50000000 1.0 Ir Ir32 1 0.38146872 0.18076225 0.50000000 1.0 Ir Ir33 1 0.80060260 0.62726271 0.50000000 1.0 Ir Ir34 1 0.81560504 0.18933498 0.50000000 1.0 Ir Ir35 1 1.00000000 0.99790834 0.50000000 1.0