# generated using pymatgen data_Sc12Si12Tc3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91545188 _cell_length_b 10.44913306 _cell_length_c 11.81661899 _cell_angle_alpha 90.16561841 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc12Si12Tc3Rh _chemical_formula_sum 'Sc12 Si12 Tc3 Rh1' _cell_volume 483.45223017 _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 0.25000000 0.87689452 0.01930222 1.0 Sc Sc1 1 0.25000000 0.62490729 0.51746019 1.0 Sc Sc2 1 0.75000000 0.12305279 0.98299738 1.0 Sc Sc3 1 0.75000000 0.37815559 0.48308791 1.0 Sc Sc4 1 0.25000000 0.92400188 0.60443900 1.0 Sc Sc5 1 0.25000000 0.57652123 0.10618043 1.0 Sc Sc6 1 0.75000000 0.07599866 0.39325638 1.0 Sc Sc7 1 0.75000000 0.42351088 0.89161701 1.0 Sc Sc8 1 0.25000000 0.66381100 0.79812177 1.0 Sc Sc9 1 0.25000000 0.83677009 0.29791149 1.0 Sc Sc10 1 0.75000000 0.33795826 0.20182284 1.0 Sc Sc11 1 0.75000000 0.15676117 0.70169193 1.0 Si Si12 1 0.25000000 0.01642800 0.82469280 1.0 Si Si13 1 0.25000000 0.48027757 0.32300171 1.0 Si Si14 1 0.75000000 0.97951689 0.17742111 1.0 Si Si15 1 0.75000000 0.52219527 0.67758844 1.0 Si Si16 1 0.25000000 0.24857713 0.84407739 1.0 Si Si17 1 0.25000000 0.24793770 0.34589161 1.0 Si Si18 1 0.75000000 0.74807534 0.15419070 1.0 Si Si19 1 0.75000000 0.75366833 0.65618617 1.0 Si Si20 1 0.25000000 0.19337827 0.54330446 1.0 Si Si21 1 0.25000000 0.30752881 0.04180327 1.0 Si Si22 1 0.75000000 0.80929095 0.45752790 1.0 Si Si23 1 0.75000000 0.69308323 0.95591252 1.0 Tc Tc24 1 0.25000000 0.38820834 0.67907213 1.0 Tc Tc25 1 0.25000000 0.11312582 0.17733794 1.0 Tc Tc26 1 0.75000000 0.61365466 0.32182963 1.0 Rh Rh27 1 0.75000000 0.88671033 0.82227468 1.0