# generated using pymatgen data_Sc8Re3Si16Mo9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49642988 _cell_length_b 6.76800017 _cell_length_c 12.58865983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.05791273 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Re3Si16Mo9 _chemical_formula_sum 'Sc8 Re3 Si16 Mo9' _cell_volume 553.49587971 _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 0.49750722 0.33055207 0.09191988 1.0 Sc Sc1 1 0.99412350 0.16991645 0.40838857 1.0 Sc Sc2 1 0.50551847 0.67000997 0.59173805 1.0 Sc Sc3 1 0.00547864 0.83075992 0.90859412 1.0 Sc Sc4 1 0.50551847 0.67000997 0.90826195 1.0 Sc Sc5 1 0.00547864 0.83075992 0.59140588 1.0 Sc Sc6 1 0.49750722 0.33055207 0.40808012 1.0 Sc Sc7 1 0.99412350 0.16991645 0.09161143 1.0 Re Re8 1 0.66674262 0.98267269 0.75000000 1.0 Re Re9 1 0.16721055 0.51737767 0.75000000 1.0 Re Re10 1 0.33402492 0.01303045 0.25000000 1.0 Si Si11 1 0.66141961 0.03917656 0.54626898 1.0 Si Si12 1 0.16193408 0.46104668 0.95339187 1.0 Si Si13 1 0.33751054 0.96141546 0.04608611 1.0 Si Si14 1 0.83821394 0.53853613 0.45567101 1.0 Si Si15 1 0.33751054 0.96141546 0.45391389 1.0 Si Si16 1 0.83821394 0.53853613 0.04432899 1.0 Si Si17 1 0.66141961 0.03917656 0.95373102 1.0 Si Si18 1 0.16193408 0.46104668 0.54660813 1.0 Si Si19 1 0.52482695 0.37440059 0.75000000 1.0 Si Si20 1 0.02538268 0.12516122 0.75000000 1.0 Si Si21 1 0.47118350 0.62609129 0.25000000 1.0 Si Si22 1 0.97365914 0.87444852 0.25000000 1.0 Si Si23 1 0.80247126 0.64045695 0.75000000 1.0 Si Si24 1 0.30184946 0.85989536 0.75000000 1.0 Si Si25 1 0.20161165 0.35811853 0.25000000 1.0 Si Si26 1 0.69792900 0.13832650 0.25000000 1.0 Mo Mo27 1 0.82400898 0.33777963 0.62524121 1.0 Mo Mo28 1 0.32390773 0.16191720 0.87566309 1.0 Mo Mo29 1 0.17437164 0.66193296 0.12311502 1.0 Mo Mo30 1 0.67451638 0.83688408 0.37684664 1.0 Mo Mo31 1 0.17437164 0.66193296 0.37688498 1.0 Mo Mo32 1 0.67451638 0.83688408 0.12315336 1.0 Mo Mo33 1 0.82400898 0.33777963 0.87475879 1.0 Mo Mo34 1 0.32390773 0.16191720 0.62433691 1.0 Mo Mo35 1 0.83608480 0.49016101 0.25000000 1.0