# generated using pymatgen data_Pa3(SiRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48680508 _cell_length_b 7.63218807 _cell_length_c 12.93602236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa3(SiRu)2 _chemical_formula_sum 'Pa12 Si8 Ru8' _cell_volume 541.71311875 _cell_formula_units_Z 4 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 Pa Pa0 1 0.63381816 0.25676838 0.25000000 1.0 Pa Pa1 1 0.36618184 0.74323162 0.75000000 1.0 Pa Pa2 1 0.36618184 0.75676838 0.25000000 1.0 Pa Pa3 1 0.63381816 0.24323162 0.75000000 1.0 Pa Pa4 1 0.15696810 0.39570836 0.10217814 1.0 Pa Pa5 1 0.84303190 0.60429164 0.89782186 1.0 Pa Pa6 1 0.84303190 0.60429164 0.60217814 1.0 Pa Pa7 1 0.84303190 0.89570836 0.39782186 1.0 Pa Pa8 1 0.15696810 0.39570836 0.39782186 1.0 Pa Pa9 1 0.15696810 0.10429164 0.60217814 1.0 Pa Pa10 1 0.15696810 0.10429164 0.89782186 1.0 Pa Pa11 1 0.84303190 0.89570836 0.10217814 1.0 Si Si12 1 0.12374472 0.10655018 0.25000000 1.0 Si Si13 1 0.87625528 0.89344982 0.75000000 1.0 Si Si14 1 0.87625528 0.60655018 0.25000000 1.0 Si Si15 1 0.12374472 0.39344982 0.75000000 1.0 Si Si16 1 0.67951192 0.25000000 0.00000000 1.0 Si Si17 1 0.32048808 0.75000000 0.00000000 1.0 Si Si18 1 0.32048808 0.75000000 0.50000000 1.0 Si Si19 1 0.67951192 0.25000000 0.50000000 1.0 Ru Ru20 1 0.37408413 0.04309916 0.09346644 1.0 Ru Ru21 1 0.62591587 0.95690084 0.90653356 1.0 Ru Ru22 1 0.62591587 0.95690084 0.59346644 1.0 Ru Ru23 1 0.62591587 0.54309916 0.40653356 1.0 Ru Ru24 1 0.37408413 0.04309916 0.40653356 1.0 Ru Ru25 1 0.37408413 0.45690084 0.59346644 1.0 Ru Ru26 1 0.37408413 0.45690084 0.90653356 1.0 Ru Ru27 1 0.62591587 0.54309916 0.09346644 1.0