# generated using pymatgen data_Sc8Re(B8Rh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48291069 _cell_length_b 8.89388486 _cell_length_c 11.19243312 _cell_angle_alpha 90.16499690 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Re(B8Rh)3 _chemical_formula_sum 'Sc8 Re1 B24 Rh3' _cell_volume 346.70216052 _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 0.94608287 0.37344253 1.0 Sc Sc1 1 0.00000000 0.05580243 0.62669632 1.0 Sc Sc2 1 0.00000000 0.55649345 0.87353781 1.0 Sc Sc3 1 0.00000000 0.18224793 0.91799053 1.0 Sc Sc4 1 0.00000000 0.82183942 0.08685809 1.0 Sc Sc5 1 0.00000000 0.68199768 0.58561131 1.0 Sc Sc6 1 0.00000000 0.31350490 0.40984747 1.0 Sc Sc7 1 0.00000000 0.44267763 0.12553631 1.0 Re Re8 1 0.00000000 0.13862545 0.17966569 1.0 B B9 1 0.50000000 0.37004085 0.81832627 1.0 B B10 1 0.50000000 0.97882518 0.21336630 1.0 B B11 1 0.50000000 0.55335547 0.43588742 1.0 B B12 1 0.50000000 0.29540781 0.23653012 1.0 B B13 1 0.50000000 0.20566024 0.73759339 1.0 B B14 1 0.50000000 0.10208555 0.47305922 1.0 B B15 1 0.50000000 0.79399758 0.26420830 1.0 B B16 1 0.50000000 0.44550098 0.56377409 1.0 B B17 1 0.50000000 0.24738737 0.57831799 1.0 B B18 1 0.50000000 0.48036998 0.28694576 1.0 B B19 1 0.50000000 0.70502309 0.76264093 1.0 B B20 1 0.50000000 0.75151227 0.42213784 1.0 B B21 1 0.50000000 0.52045773 0.71249335 1.0 B B22 1 0.50000000 0.89644761 0.52875027 1.0 B B23 1 0.50000000 0.05307180 0.06421463 1.0 B B24 1 0.50000000 0.60435469 0.02770755 1.0 B B25 1 0.50000000 0.74818533 0.92172019 1.0 B B26 1 0.50000000 0.02090620 0.78718909 1.0 B B27 1 0.50000000 0.39848978 0.97114696 1.0 B B28 1 0.50000000 0.94643823 0.93497172 1.0 B B29 1 0.50000000 0.63086749 0.18157361 1.0 B B30 1 0.50000000 0.25240420 0.07861424 1.0 B B31 1 0.50000000 0.86910223 0.68162720 1.0 B B32 1 0.50000000 0.13004668 0.31792788 1.0 Rh Rh33 1 0.00000000 0.36036791 0.67934905 1.0 Rh Rh34 1 0.00000000 0.86113097 0.82063686 1.0 Rh Rh35 1 0.00000000 0.63928904 0.32010368 1.0