# generated using pymatgen data_Yb5Si3SO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65063534 _cell_length_b 9.65063534 _cell_length_c 6.28969198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000198 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb5Si3SO12 _chemical_formula_sum 'Yb10 Si6 S2 O24' _cell_volume 507.30811815 _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 Yb Yb0 1 0.74899425 0.96101316 0.75000000 1.0 Yb Yb1 1 0.78798209 0.74899425 0.25000000 1.0 Yb Yb2 1 0.96101316 0.21201791 0.25000000 1.0 Yb Yb3 1 0.03898684 0.78798209 0.75000000 1.0 Yb Yb4 1 0.21201791 0.25100575 0.75000000 1.0 Yb Yb5 1 0.25100575 0.03898684 0.25000000 1.0 Yb Yb6 1 0.33333300 0.66666700 0.49496136 1.0 Yb Yb7 1 0.66666700 0.33333300 0.99496136 1.0 Yb Yb8 1 0.66666700 0.33333300 0.50503864 1.0 Yb Yb9 1 0.33333300 0.66666700 0.00503864 1.0 Si Si10 1 0.58005558 0.60952401 0.75000000 1.0 Si Si11 1 0.97053157 0.58005558 0.25000000 1.0 Si Si12 1 0.60952401 0.02946843 0.25000000 1.0 Si Si13 1 0.39047599 0.97053157 0.75000000 1.0 Si Si14 1 0.02946843 0.41994442 0.75000000 1.0 Si Si15 1 0.41994442 0.39047599 0.25000000 1.0 S S16 1 0.00000000 0.00000000 0.00000000 1.0 S S17 1 0.00000000 0.00000000 0.50000000 1.0 O O18 1 0.36287126 0.27242120 0.45763947 1.0 O O19 1 0.09045006 0.36287126 0.95763947 1.0 O O20 1 0.27242120 0.90954994 0.95763947 1.0 O O21 1 0.72757880 0.09045006 0.45763947 1.0 O O22 1 0.90954994 0.63712874 0.45763947 1.0 O O23 1 0.63712874 0.72757880 0.95763947 1.0 O O24 1 0.63712874 0.72757880 0.54236053 1.0 O O25 1 0.90954994 0.63712874 0.04236053 1.0 O O26 1 0.72757880 0.09045006 0.04236053 1.0 O O27 1 0.27242120 0.90954994 0.54236053 1.0 O O28 1 0.09045006 0.36287126 0.54236053 1.0 O O29 1 0.36287126 0.27242120 0.04236053 1.0 O O30 1 0.38348391 0.52722306 0.75000000 1.0 O O31 1 0.85626084 0.38348391 0.25000000 1.0 O O32 1 0.52722306 0.14373916 0.25000000 1.0 O O33 1 0.47277694 0.85626084 0.75000000 1.0 O O34 1 0.14373916 0.61651609 0.75000000 1.0 O O35 1 0.61651609 0.47277694 0.25000000 1.0 O O36 1 0.36380355 0.52087847 0.25000000 1.0 O O37 1 0.84292508 0.36380355 0.75000000 1.0 O O38 1 0.52087847 0.15707492 0.75000000 1.0 O O39 1 0.47912153 0.84292508 0.25000000 1.0 O O40 1 0.15707492 0.63619645 0.25000000 1.0 O O41 1 0.63619645 0.47912153 0.75000000 1.0