# generated using pymatgen data_Sc3B2Ir2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.56853482 _cell_length_b 9.44502082 _cell_length_c 3.08017350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3B2Ir2Rh3 _chemical_formula_sum 'Sc6 B4 Ir4 Rh6' _cell_volume 278.37071314 _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 Sc Sc0 1 0.32385202 0.82499139 0.00000000 1.0 Sc Sc1 1 0.67614898 0.17500861 0.00000000 1.0 Sc Sc2 1 0.82385202 0.67500961 0.00000000 1.0 Sc Sc3 1 0.17614798 0.32499139 0.00000000 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.12198371 0.62272793 0.00000000 1.0 B B7 1 0.87801729 0.37727207 0.00000000 1.0 B B8 1 0.62198371 0.87727307 0.00000000 1.0 B B9 1 0.37801629 0.12272793 0.00000000 1.0 Ir Ir10 1 0.22460562 0.07142278 0.50000000 1.0 Ir Ir11 1 0.77539538 0.92857822 0.50000000 1.0 Ir Ir12 1 0.72460562 0.42857722 0.50000000 1.0 Ir Ir13 1 0.27539538 0.57142178 0.50000000 1.0 Rh Rh14 1 0.43092840 0.27726981 0.50000000 1.0 Rh Rh15 1 0.56907060 0.72273119 0.50000000 1.0 Rh Rh16 1 0.06907160 0.77726981 0.50000000 1.0 Rh Rh17 1 0.93092940 0.22273119 0.50000000 1.0 Rh Rh18 1 0.00000000 0.50000000 0.50000000 1.0 Rh Rh19 1 0.50000000 0.00000000 0.50000000 1.0