# generated using pymatgen data_Sc5Si12Rh19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.59854802 _cell_length_b 12.59854844 _cell_length_c 3.87103802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999633 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si12Rh19 _chemical_formula_sum 'Sc5 Si12 Rh19' _cell_volume 532.10714550 _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 1.00000000 0.18627635 0.50000000 1.0 Sc Sc1 1 0.81372365 0.81372365 0.50000000 1.0 Sc Sc2 1 0.18627635 1.00000000 0.50000000 1.0 Sc Sc3 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc4 1 0.33333300 0.66666700 0.00000000 1.0 Si Si5 1 0.47983595 0.31420257 0.50000000 1.0 Si Si6 1 0.82088921 0.00000000 0.00000000 1.0 Si Si7 1 0.17911079 0.17911079 0.00000000 1.0 Si Si8 1 0.00000000 0.82088921 0.00000000 1.0 Si Si9 1 0.36868640 1.00000000 0.00000000 1.0 Si Si10 1 0.68579743 0.16563338 0.50000000 1.0 Si Si11 1 0.83436662 0.52016405 0.50000000 1.0 Si Si12 1 0.52016405 0.83436662 0.50000000 1.0 Si Si13 1 0.16563338 0.68579743 0.50000000 1.0 Si Si14 1 0.31420257 0.47983595 0.50000000 1.0 Si Si15 1 1.00000000 0.36868640 0.00000000 1.0 Si Si16 1 0.63131360 0.63131360 0.00000000 1.0 Rh Rh17 1 0.80824870 0.18224153 0.00000000 1.0 Rh Rh18 1 0.37399283 0.19175130 0.00000000 1.0 Rh Rh19 1 0.64077322 0.51304496 0.50000000 1.0 Rh Rh20 1 0.87227174 0.35922678 0.50000000 1.0 Rh Rh21 1 0.35922678 0.87227174 0.50000000 1.0 Rh Rh22 1 0.51304496 0.64077322 0.50000000 1.0 Rh Rh23 1 0.12772826 0.48695504 0.50000000 1.0 Rh Rh24 1 0.81775847 0.62600717 0.00000000 1.0 Rh Rh25 1 0.62600717 0.81775847 0.00000000 1.0 Rh Rh26 1 0.18224153 0.80824870 0.00000000 1.0 Rh Rh27 1 0.19175130 0.37399283 0.00000000 1.0 Rh Rh28 1 0.00000000 0.72235712 0.50000000 1.0 Rh Rh29 1 0.27764288 0.27764288 0.50000000 1.0 Rh Rh30 1 0.72235712 0.00000000 0.50000000 1.0 Rh Rh31 1 0.00000000 0.55440678 0.00000000 1.0 Rh Rh32 1 0.44559322 0.44559322 0.00000000 1.0 Rh Rh33 1 0.55440678 0.00000000 0.00000000 1.0 Rh Rh34 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh35 1 0.48695504 0.12772826 0.50000000 1.0