# generated using pymatgen data_Sc8Cr3B24Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40343581 _cell_length_b 8.88992959 _cell_length_c 11.19431820 _cell_angle_alpha 90.05702549 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Cr3B24Ir _chemical_formula_sum 'Sc8 Cr3 B24 Ir1' _cell_volume 338.69853531 _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 0.00000000 0.94645983 0.37085845 1.0 Sc Sc1 1 0.00000000 0.05635874 0.62955473 1.0 Sc Sc2 1 0.00000000 0.55698416 0.87159699 1.0 Sc Sc3 1 0.00000000 0.17890550 0.91418834 1.0 Sc Sc4 1 0.00000000 0.82488546 0.08111672 1.0 Sc Sc5 1 0.00000000 0.68026693 0.59014637 1.0 Sc Sc6 1 0.00000000 0.31584113 0.41633410 1.0 Sc Sc7 1 0.00000000 0.44048313 0.12683705 1.0 Cr Cr8 1 0.00000000 0.14004265 0.18102690 1.0 Cr Cr9 1 0.00000000 0.36116324 0.67923117 1.0 Cr Cr10 1 0.00000000 0.86008464 0.81964131 1.0 B B11 1 0.50000000 0.36958340 0.81654641 1.0 B B12 1 0.50000000 0.98021714 0.21171930 1.0 B B13 1 0.50000000 0.55265476 0.43612286 1.0 B B14 1 0.50000000 0.29401169 0.23644531 1.0 B B15 1 0.50000000 0.20612694 0.73633636 1.0 B B16 1 0.50000000 0.10051390 0.47259496 1.0 B B17 1 0.50000000 0.79513731 0.26255189 1.0 B B18 1 0.50000000 0.44647285 0.56536786 1.0 B B19 1 0.50000000 0.24826603 0.58014994 1.0 B B20 1 0.50000000 0.47856941 0.28750863 1.0 B B21 1 0.50000000 0.70598740 0.76397786 1.0 B B22 1 0.50000000 0.75210810 0.42227145 1.0 B B23 1 0.50000000 0.51988560 0.71225260 1.0 B B24 1 0.50000000 0.89873926 0.52788494 1.0 B B25 1 0.50000000 0.05329022 0.06533000 1.0 B B26 1 0.50000000 0.60092697 0.02760374 1.0 B B27 1 0.50000000 0.74918491 0.92005643 1.0 B B28 1 0.50000000 0.02006658 0.78781335 1.0 B B29 1 0.50000000 0.39852815 0.97188024 1.0 B B30 1 0.50000000 0.94731114 0.93392114 1.0 B B31 1 0.50000000 0.63087116 0.18113682 1.0 B B32 1 0.50000000 0.25046331 0.07912329 1.0 B B33 1 0.50000000 0.86934543 0.68361969 1.0 B B34 1 0.50000000 0.13065537 0.31720840 1.0 Ir Ir35 1 0.00000000 0.63961057 0.32004440 1.0