# generated using pymatgen data_Sc5Cr4(P4Ir5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.60244629 _cell_length_b 12.60765002 _cell_length_c 3.83436757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.07295493 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Cr4(P4Ir5)3 _chemical_formula_sum 'Sc5 Cr4 P12 Ir15' _cell_volume 527.22213602 _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 Sc Sc0 1 0.33357791 0.66732067 0.00000000 1.0 Sc Sc1 1 0.66727350 0.33252602 0.00000000 1.0 Sc Sc2 1 0.81517643 0.00106917 0.50000000 1.0 Sc Sc3 1 0.00120510 0.81857304 0.50000000 1.0 Sc Sc4 1 0.18537347 0.18482888 0.50000000 1.0 Cr Cr5 1 0.45150979 0.99746261 0.00000000 1.0 Cr Cr6 1 0.99751740 0.45344131 0.00000000 1.0 Cr Cr7 1 0.54950971 0.54335596 0.00000000 1.0 Cr Cr8 1 0.17880961 0.37882828 0.00000000 1.0 P P9 1 0.17727849 0.00258097 0.00000000 1.0 P P10 1 0.00156949 0.17653338 0.00000000 1.0 P P11 1 0.82406125 0.82530149 0.00000000 1.0 P P12 1 0.16931844 0.48619113 0.50000000 1.0 P P13 1 0.51425968 0.68174850 0.50000000 1.0 P P14 1 0.31253433 0.82959360 0.50000000 1.0 P P15 1 0.68944133 0.51780333 0.50000000 1.0 P P16 1 0.82875142 0.30979280 0.50000000 1.0 P P17 1 0.48503133 0.17217259 0.50000000 1.0 P P18 1 0.64436649 0.99936385 0.00000000 1.0 P P19 1 0.00206135 0.64681020 0.00000000 1.0 P P20 1 0.35020322 0.35518821 0.00000000 1.0 Ir Ir21 1 0.35677155 0.48428604 0.50000000 1.0 Ir Ir22 1 0.50317379 0.86289832 0.50000000 1.0 Ir Ir23 1 0.12927583 0.64219739 0.50000000 1.0 Ir Ir24 1 0.86560571 0.50177282 0.50000000 1.0 Ir Ir25 1 0.63652618 0.12825713 0.50000000 1.0 Ir Ir26 1 0.49789491 0.36249865 0.50000000 1.0 Ir Ir27 1 0.62696098 0.80726901 0.00000000 1.0 Ir Ir28 1 0.19456870 0.82289497 0.00000000 1.0 Ir Ir29 1 0.81057740 0.62919729 0.00000000 1.0 Ir Ir30 1 0.81944881 0.19332535 0.00000000 1.0 Ir Ir31 1 0.37269183 0.18253346 0.00000000 1.0 Ir Ir32 1 0.28367118 0.00194433 0.50000000 1.0 Ir Ir33 1 0.00362954 0.28079402 0.50000000 1.0 Ir Ir34 1 0.71973327 0.71946784 0.50000000 1.0 Ir Ir35 1 0.00063957 0.00017839 0.00000000 1.0