# generated using pymatgen data_Sc2FeB2Ru2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04492400 _cell_length_b 9.34083700 _cell_length_c 9.40152600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2FeB2Ru2Rh3 _chemical_formula_sum 'Sc4 Fe2 B4 Ru4 Rh6' _cell_volume 267.39950706 _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 0.00000000 0.32497600 0.82318000 1.0 Sc Sc1 1 0.00000000 0.67502400 0.17682000 1.0 Sc Sc2 1 0.00000000 0.82497600 0.67682000 1.0 Sc Sc3 1 0.00000000 0.17502400 0.32318000 1.0 Fe Fe4 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.87845700 0.36977000 1.0 B B7 1 0.00000000 0.12154300 0.63023000 1.0 B B8 1 0.00000000 0.37845700 0.13023000 1.0 B B9 1 0.00000000 0.62154300 0.86977000 1.0 Ru Ru10 1 0.50000000 0.43030100 0.28559700 1.0 Ru Ru11 1 0.50000000 0.56969900 0.71440300 1.0 Ru Ru12 1 0.50000000 0.93030100 0.21440300 1.0 Ru Ru13 1 0.50000000 0.06969900 0.78559700 1.0 Rh Rh14 1 0.50000000 0.71573500 0.43053300 1.0 Rh Rh15 1 0.50000000 0.28426500 0.56946700 1.0 Rh Rh16 1 0.50000000 0.78426500 0.93053300 1.0 Rh Rh17 1 0.50000000 0.21573500 0.06946700 1.0 Rh Rh18 1 0.50000000 0.50000000 0.00000000 1.0 Rh Rh19 1 0.50000000 0.00000000 0.50000000 1.0