# generated using pymatgen data_Ho3Sc(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97852259 _cell_length_b 11.15754457 _cell_length_c 12.80307043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3Sc(P3Ir4)2 _chemical_formula_sum 'Ho6 Sc2 P12 Ir16' _cell_volume 568.33525024 _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 Ho Ho0 1 0.00000000 0.50000000 0.52284292 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47715708 1.0 Ho Ho2 1 0.50000000 0.82159524 0.20483251 1.0 Ho Ho3 1 0.50000000 0.17840476 0.20483251 1.0 Ho Ho4 1 0.00000000 0.67840476 0.79516749 1.0 Ho Ho5 1 0.00000000 0.32159524 0.79516749 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15850019 1.0 Sc Sc7 1 0.00000000 0.00000000 0.84149981 1.0 P P8 1 0.50000000 0.31338253 0.61764543 1.0 P P9 1 0.50000000 0.68661747 0.61764543 1.0 P P10 1 0.00000000 0.18661747 0.38235457 1.0 P P11 1 0.00000000 0.81338253 0.38235457 1.0 P P12 1 0.50000000 0.50000000 0.87723948 1.0 P P13 1 0.00000000 0.00000000 0.12276052 1.0 P P14 1 0.50000000 0.84265691 0.88660077 1.0 P P15 1 0.50000000 0.15734309 0.88660077 1.0 P P16 1 0.00000000 0.65734309 0.11339923 1.0 P P17 1 0.00000000 0.34265691 0.11339923 1.0 P P18 1 0.50000000 0.50000000 0.35993832 1.0 P P19 1 0.00000000 0.00000000 0.64006168 1.0 Ir Ir20 1 0.00000000 0.50000000 0.99316672 1.0 Ir Ir21 1 0.50000000 0.00000000 0.00683328 1.0 Ir Ir22 1 0.50000000 0.29777125 0.43376060 1.0 Ir Ir23 1 0.50000000 0.70222875 0.43376060 1.0 Ir Ir24 1 0.00000000 0.20222875 0.56623940 1.0 Ir Ir25 1 0.00000000 0.79777125 0.56623940 1.0 Ir Ir26 1 0.50000000 0.87151825 0.70842732 1.0 Ir Ir27 1 0.50000000 0.12848175 0.70842732 1.0 Ir Ir28 1 0.00000000 0.62848175 0.29157268 1.0 Ir Ir29 1 0.00000000 0.37151825 0.29157268 1.0 Ir Ir30 1 0.50000000 0.33055549 0.98051812 1.0 Ir Ir31 1 0.50000000 0.66944451 0.98051812 1.0 Ir Ir32 1 0.00000000 0.16944451 0.01948188 1.0 Ir Ir33 1 0.00000000 0.83055549 0.01948188 1.0 Ir Ir34 1 0.50000000 0.50000000 0.69895849 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30104151 1.0