# generated using pymatgen data_Sc3Sn3(Ru2Rh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51558125 _cell_length_b 6.39750860 _cell_length_c 13.54563293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00047943 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Sn3(Ru2Rh)2 _chemical_formula_sum 'Sc6 Sn6 Ru8 Rh4' _cell_volume 391.31260845 _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 0.00000849 0.50000100 0.99770539 1.0 Sc Sc1 1 0.49996791 0.00000000 0.16898734 1.0 Sc Sc2 1 0.99996695 0.50000100 0.33638917 1.0 Sc Sc3 1 0.49999351 0.00000000 0.50090433 1.0 Sc Sc4 1 0.00003069 0.50000100 0.66571577 1.0 Sc Sc5 1 0.50003892 0.00000000 0.83027951 1.0 Sn Sn6 1 0.00000761 0.00000000 0.99673195 1.0 Sn Sn7 1 0.49995829 0.50000100 0.17002281 1.0 Sn Sn8 1 0.99996109 0.00000000 0.33716662 1.0 Sn Sn9 1 0.49999143 0.50000100 0.50029122 1.0 Sn Sn10 1 0.00003278 0.00000000 0.66627498 1.0 Sn Sn11 1 0.50004415 0.50000100 0.82950281 1.0 Ru Ru12 1 0.49996571 0.24898284 0.33076756 1.0 Ru Ru13 1 0.49996571 0.75101716 0.33076756 1.0 Ru Ru14 1 0.99999138 0.25110721 0.49949564 1.0 Ru Ru15 1 0.99999138 0.74889379 0.49949564 1.0 Ru Ru16 1 0.50002934 0.24888836 0.66711382 1.0 Ru Ru17 1 0.50002934 0.75111164 0.66711382 1.0 Ru Ru18 1 0.00003894 0.25102083 0.83590090 1.0 Ru Ru19 1 0.00003894 0.74897817 0.83590090 1.0 Rh Rh20 1 0.50000789 0.25278168 0.00199731 1.0 Rh Rh21 1 0.50000789 0.74721932 0.00199731 1.0 Rh Rh22 1 0.99996733 0.24721757 0.16474082 1.0 Rh Rh23 1 0.99996733 0.75278143 0.16474082 1.0