# generated using pymatgen data_Sc4ReSi8Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61166956 _cell_length_b 6.61151985 _cell_length_c 12.30343914 _cell_angle_alpha 89.91914253 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4ReSi8Tc5 _chemical_formula_sum 'Sc8 Re2 Si16 Tc10' _cell_volume 537.82197002 _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 0.00409225 0.65776040 0.03075180 1.0 Sc Sc1 1 0.99505731 0.34175629 0.53133850 1.0 Sc Sc2 1 0.34161542 0.99598994 0.46918165 1.0 Sc Sc3 1 0.15758491 0.49495933 0.78126558 1.0 Sc Sc4 1 0.84161542 0.50401006 0.28081835 1.0 Sc Sc5 1 0.49505731 0.15824371 0.21866150 1.0 Sc Sc6 1 0.50409225 0.84223960 0.71924820 1.0 Sc Sc7 1 0.65758491 0.00504067 0.96873442 1.0 Re Re8 1 0.33120342 0.33104362 0.99975842 1.0 Re Re9 1 0.83120342 0.16895638 0.75024158 1.0 Si Si10 1 0.02844425 0.71902371 0.43583715 1.0 Si Si11 1 0.62226613 0.30623729 0.43336130 1.0 Si Si12 1 0.37919739 0.69380595 0.93336570 1.0 Si Si13 1 0.19394992 0.12142693 0.68311851 1.0 Si Si14 1 0.30637494 0.62159029 0.56637356 1.0 Si Si15 1 0.69394992 0.37857307 0.06688149 1.0 Si Si16 1 0.80637494 0.87840971 0.18362644 1.0 Si Si17 1 0.12226613 0.19376271 0.31663870 1.0 Si Si18 1 0.97180292 0.27893840 0.93643621 1.0 Si Si19 1 0.71888564 0.02794579 0.56385570 1.0 Si Si20 1 0.21888564 0.47205421 0.18614430 1.0 Si Si21 1 0.77878654 0.52863997 0.68611444 1.0 Si Si22 1 0.47180292 0.22106160 0.81356379 1.0 Si Si23 1 0.52844425 0.78097629 0.31416285 1.0 Si Si24 1 0.27878654 0.97136003 0.06388556 1.0 Si Si25 1 0.87919739 0.80619405 0.81663430 1.0 Tc Tc26 1 0.66882543 0.66865937 0.50023620 1.0 Tc Tc27 1 0.16882543 0.83134063 0.24976380 1.0 Tc Tc28 1 0.02126402 0.81926269 0.62905561 1.0 Tc Tc29 1 0.97763015 0.18197369 0.13073971 1.0 Tc Tc30 1 0.82021507 0.02098510 0.37050655 1.0 Tc Tc31 1 0.32021507 0.47901490 0.37949345 1.0 Tc Tc32 1 0.68280330 0.52256693 0.88030174 1.0 Tc Tc33 1 0.47763015 0.31802631 0.61926029 1.0 Tc Tc34 1 0.52126402 0.68073731 0.12094439 1.0 Tc Tc35 1 0.18280330 0.97743307 0.86969826 1.0