# generated using pymatgen data_Tb3Sc(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98931521 _cell_length_b 11.18174183 _cell_length_c 12.82791246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Sc(P3Ir4)2 _chemical_formula_sum 'Tb6 Sc2 P12 Ir16' _cell_volume 572.22101232 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52216164 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47783836 1.0 Tb Tb2 1 0.50000000 0.82136407 0.20476676 1.0 Tb Tb3 1 0.50000000 0.17863593 0.20476676 1.0 Tb Tb4 1 0.00000000 0.67863593 0.79523324 1.0 Tb Tb5 1 0.00000000 0.32136407 0.79523324 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15795620 1.0 Sc Sc7 1 0.00000000 0.00000000 0.84204380 1.0 P P8 1 0.50000000 0.50000000 0.87844880 1.0 P P9 1 0.00000000 0.00000000 0.12155120 1.0 P P10 1 0.50000000 0.50000000 0.35882969 1.0 P P11 1 0.00000000 0.00000000 0.64117031 1.0 P P12 1 0.50000000 0.31274111 0.61731157 1.0 P P13 1 0.50000000 0.68725889 0.61731157 1.0 P P14 1 0.00000000 0.18725889 0.38268843 1.0 P P15 1 0.00000000 0.81274111 0.38268843 1.0 P P16 1 0.50000000 0.84296290 0.88735033 1.0 P P17 1 0.50000000 0.15703710 0.88735033 1.0 P P18 1 0.00000000 0.65703710 0.11264967 1.0 P P19 1 0.00000000 0.34296290 0.11264967 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69962486 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30037514 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99238846 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00761154 1.0 Ir Ir24 1 0.50000000 0.33056703 0.98191380 1.0 Ir Ir25 1 0.50000000 0.66943297 0.98191380 1.0 Ir Ir26 1 0.00000000 0.16943297 0.01808620 1.0 Ir Ir27 1 0.00000000 0.83056703 0.01808620 1.0 Ir Ir28 1 0.50000000 0.29629194 0.43296440 1.0 Ir Ir29 1 0.50000000 0.70370806 0.43296440 1.0 Ir Ir30 1 0.00000000 0.20370806 0.56703560 1.0 Ir Ir31 1 0.00000000 0.79629194 0.56703560 1.0 Ir Ir32 1 0.50000000 0.87209147 0.70878856 1.0 Ir Ir33 1 0.50000000 0.12790853 0.70878856 1.0 Ir Ir34 1 0.00000000 0.62790853 0.29121144 1.0 Ir Ir35 1 0.00000000 0.37209147 0.29121144 1.0