# generated using pymatgen data_Sc(GeRh2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09761970 _cell_length_b 9.03093092 _cell_length_c 11.25353336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(GeRh2)2 _chemical_formula_sum 'Sc4 Ge8 Rh16' _cell_volume 416.44060819 _cell_formula_units_Z 4 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 0.25000000 0.14530451 0.82570409 1.0 Sc Sc1 1 0.25000000 0.35469549 0.32570409 1.0 Sc Sc2 1 0.75000000 0.85469549 0.17429591 1.0 Sc Sc3 1 0.75000000 0.64530451 0.67429591 1.0 Ge Ge4 1 0.25000000 0.41597017 0.63961456 1.0 Ge Ge5 1 0.25000000 0.08402983 0.13961456 1.0 Ge Ge6 1 0.75000000 0.58402983 0.36038544 1.0 Ge Ge7 1 0.75000000 0.91597017 0.86038544 1.0 Ge Ge8 1 0.25000000 0.62135395 0.05967094 1.0 Ge Ge9 1 0.25000000 0.87864605 0.55967094 1.0 Ge Ge10 1 0.75000000 0.37864605 0.94032906 1.0 Ge Ge11 1 0.75000000 0.12135395 0.44032906 1.0 Rh Rh12 1 0.25000000 0.61527592 0.49819527 1.0 Rh Rh13 1 0.25000000 0.88472408 0.99819527 1.0 Rh Rh14 1 0.75000000 0.38472408 0.50180473 1.0 Rh Rh15 1 0.75000000 0.11527592 0.00180473 1.0 Rh Rh16 1 0.25000000 0.70497249 0.26668267 1.0 Rh Rh17 1 0.25000000 0.79502751 0.76668267 1.0 Rh Rh18 1 0.75000000 0.29502751 0.73331733 1.0 Rh Rh19 1 0.75000000 0.20497249 0.23331733 1.0 Rh Rh20 1 0.25000000 0.17049427 0.56458550 1.0 Rh Rh21 1 0.25000000 0.32950573 0.06458550 1.0 Rh Rh22 1 0.75000000 0.82950573 0.43541450 1.0 Rh Rh23 1 0.75000000 0.67049427 0.93541450 1.0 Rh Rh24 1 0.25000000 0.00754755 0.34385422 1.0 Rh Rh25 1 0.25000000 0.49245245 0.84385422 1.0 Rh Rh26 1 0.75000000 0.99245245 0.65614578 1.0 Rh Rh27 1 0.75000000 0.50754755 0.15614578 1.0