# generated using pymatgen data_Sc4As6Ru4Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02981096 _cell_length_b 7.02970574 _cell_length_c 7.02980809 _cell_angle_alpha 109.46350342 _cell_angle_beta 109.35790550 _cell_angle_gamma 109.59129364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4As6Ru4Rh3 _chemical_formula_sum 'Sc4 As6 Ru4 Rh3' _cell_volume 267.42755775 _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 0.00106264 0.00229006 0.50140478 1.0 Sc Sc1 1 0.49909563 0.99769605 0.99876403 1.0 Sc Sc2 1 0.00106018 0.49966427 0.99877640 1.0 Sc Sc3 1 0.49910036 0.50033028 0.50139971 1.0 As As4 1 0.31395237 0.00003226 0.31394609 1.0 As As5 1 0.00240244 0.31500096 0.31738515 1.0 As As6 1 0.00237748 0.68498120 0.68738772 1.0 As As7 1 0.31243000 0.31368743 0.99874529 1.0 As As8 1 0.68504781 0.68632596 0.99871923 1.0 As As9 1 0.68579191 0.99999974 0.68579216 1.0 Ru Ru10 1 0.74944258 0.24968471 0.49974724 1.0 Ru Ru11 1 0.25004656 0.75030949 0.49973951 1.0 Ru Ru12 1 0.25161708 0.49999652 0.75162370 1.0 Ru Ru13 1 0.00080702 0.00000033 0.00080742 1.0 Rh Rh14 1 0.74891428 0.50000107 0.24890942 1.0 Rh Rh15 1 0.49842083 0.74983212 0.24825817 1.0 Rh Rh16 1 0.49842983 0.25016655 0.74859398 1.0