# generated using pymatgen data_Sc12Re3Si12Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88162230 _cell_length_b 10.54381845 _cell_length_c 11.84376573 _cell_angle_alpha 90.03261109 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc12Re3Si12Tc _chemical_formula_sum 'Sc12 Re3 Si12 Tc1' _cell_volume 484.73115215 _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 0.87616380 0.01658548 1.0 Sc Sc1 1 0.25000000 0.62403118 0.51616743 1.0 Sc Sc2 1 0.75000000 0.12439337 0.98407009 1.0 Sc Sc3 1 0.75000000 0.37617310 0.48402783 1.0 Sc Sc4 1 0.25000000 0.92470113 0.60721619 1.0 Sc Sc5 1 0.25000000 0.57542302 0.10857151 1.0 Sc Sc6 1 0.75000000 0.07563091 0.39135044 1.0 Sc Sc7 1 0.75000000 0.42430926 0.89145980 1.0 Sc Sc8 1 0.25000000 0.66163203 0.79801172 1.0 Sc Sc9 1 0.25000000 0.83850973 0.29783396 1.0 Sc Sc10 1 0.75000000 0.33836585 0.20219622 1.0 Sc Sc11 1 0.75000000 0.16148434 0.70215242 1.0 Re Re12 1 0.25000000 0.38505058 0.67751536 1.0 Re Re13 1 0.25000000 0.11519771 0.17742014 1.0 Re Re14 1 0.75000000 0.61499065 0.32266953 1.0 Si Si15 1 0.25000000 0.02126454 0.82294093 1.0 Si Si16 1 0.25000000 0.47822245 0.32320550 1.0 Si Si17 1 0.75000000 0.97815351 0.17664491 1.0 Si Si18 1 0.75000000 0.52212831 0.67693854 1.0 Si Si19 1 0.25000000 0.25121898 0.84592702 1.0 Si Si20 1 0.25000000 0.24852160 0.34601709 1.0 Si Si21 1 0.75000000 0.74829810 0.15419139 1.0 Si Si22 1 0.75000000 0.75207835 0.65414114 1.0 Si Si23 1 0.25000000 0.19155266 0.54274097 1.0 Si Si24 1 0.25000000 0.30855200 0.04278643 1.0 Si Si25 1 0.75000000 0.80823432 0.45701069 1.0 Si Si26 1 0.75000000 0.69071371 0.95787736 1.0 Tc Tc27 1 0.75000000 0.88500580 0.82232690 1.0