# generated using pymatgen data_Si3Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01329825 _cell_length_b 5.18353390 _cell_length_c 17.13442985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3Ru4 _chemical_formula_sum 'Si12 Ru16' _cell_volume 356.44870125 _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 Si Si0 1 0.75000000 0.99482646 0.60345985 1.0 Si Si1 1 0.25000000 0.00517354 0.39654015 1.0 Si Si2 1 0.75000000 0.49482646 0.89654015 1.0 Si Si3 1 0.25000000 0.50517354 0.10345985 1.0 Si Si4 1 0.75000000 0.84914763 0.03368554 1.0 Si Si5 1 0.25000000 0.15085237 0.96631446 1.0 Si Si6 1 0.75000000 0.34914763 0.46631446 1.0 Si Si7 1 0.25000000 0.65085237 0.53368554 1.0 Si Si8 1 0.75000000 0.62378122 0.31028272 1.0 Si Si9 1 0.25000000 0.37621878 0.68971728 1.0 Si Si10 1 0.75000000 0.12378122 0.18971728 1.0 Si Si11 1 0.25000000 0.87621878 0.81028272 1.0 Ru Ru12 1 0.75000000 0.65398287 0.76414760 1.0 Ru Ru13 1 0.25000000 0.34601713 0.23585240 1.0 Ru Ru14 1 0.75000000 0.15398287 0.73585240 1.0 Ru Ru15 1 0.25000000 0.84601713 0.26414760 1.0 Ru Ru16 1 0.75000000 0.99099126 0.89325614 1.0 Ru Ru17 1 0.25000000 0.00900874 0.10674386 1.0 Ru Ru18 1 0.75000000 0.49099126 0.60674386 1.0 Ru Ru19 1 0.25000000 0.50900874 0.39325614 1.0 Ru Ru20 1 0.75000000 0.82657501 0.47037888 1.0 Ru Ru21 1 0.25000000 0.17342499 0.52962112 1.0 Ru Ru22 1 0.75000000 0.32657501 0.02962112 1.0 Ru Ru23 1 0.25000000 0.67342499 0.97037888 1.0 Ru Ru24 1 0.75000000 0.65884610 0.16406800 1.0 Ru Ru25 1 0.25000000 0.34115390 0.83593200 1.0 Ru Ru26 1 0.75000000 0.15884610 0.33593200 1.0 Ru Ru27 1 0.25000000 0.84115390 0.66406800 1.0