# generated using pymatgen data_Si3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26502500 _cell_length_b 8.61642700 _cell_length_c 13.04666000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3Ru2 _chemical_formula_sum 'Si24 Ru16' _cell_volume 591.87091008 _cell_formula_units_Z 8 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 0.04123300 0.78638800 0.62194000 1.0 Si Si1 1 0.54123300 0.71361200 0.87806000 1.0 Si Si2 1 0.50547600 0.67857800 0.65647800 1.0 Si Si3 1 0.00547600 0.32142200 0.65647800 1.0 Si Si4 1 0.95876700 0.71361200 0.12194000 1.0 Si Si5 1 0.45876700 0.78638800 0.37806000 1.0 Si Si6 1 0.81227000 0.96236100 0.26276600 1.0 Si Si7 1 0.49452400 0.82142200 0.15647900 1.0 Si Si8 1 0.99452400 0.67857800 0.34352100 1.0 Si Si9 1 0.49452400 0.32142200 0.34352100 1.0 Si Si10 1 0.68773000 0.46236100 0.76276600 1.0 Si Si11 1 0.04123300 0.28638800 0.87806000 1.0 Si Si12 1 0.31227000 0.03763900 0.26276600 1.0 Si Si13 1 0.99452400 0.17857800 0.15647900 1.0 Si Si14 1 0.81227000 0.46236100 0.23723400 1.0 Si Si15 1 0.95876700 0.21361300 0.37806000 1.0 Si Si16 1 0.31227000 0.53763900 0.23723400 1.0 Si Si17 1 0.18773000 0.03763900 0.73723400 1.0 Si Si18 1 0.18773000 0.53763900 0.76276600 1.0 Si Si19 1 0.68773000 0.96236100 0.73723400 1.0 Si Si20 1 0.50547600 0.17857800 0.84352200 1.0 Si Si21 1 0.00547600 0.82142200 0.84352200 1.0 Si Si22 1 0.54123300 0.21361300 0.62194000 1.0 Si Si23 1 0.45876700 0.28638800 0.12194000 1.0 Ru Ru24 1 0.25000000 0.59241700 0.50000000 1.0 Ru Ru25 1 0.75000000 0.90758300 0.00000000 1.0 Ru Ru26 1 0.25000000 0.29942300 0.50000000 1.0 Ru Ru27 1 0.91243100 0.56269000 0.91045800 1.0 Ru Ru28 1 0.58756900 0.06269000 0.41045800 1.0 Ru Ru29 1 0.75000000 0.70057700 0.50000000 1.0 Ru Ru30 1 0.08756900 0.43731000 0.08954200 1.0 Ru Ru31 1 0.75000000 0.20057700 0.00000000 1.0 Ru Ru32 1 0.91243100 0.06269000 0.58954200 1.0 Ru Ru33 1 0.25000000 0.79942300 0.00000000 1.0 Ru Ru34 1 0.58756900 0.56269000 0.08954200 1.0 Ru Ru35 1 0.25000000 0.09241700 0.00000000 1.0 Ru Ru36 1 0.41243100 0.93731000 0.58954200 1.0 Ru Ru37 1 0.08756900 0.93731000 0.41045800 1.0 Ru Ru38 1 0.75000000 0.40758300 0.50000000 1.0 Ru Ru39 1 0.41243100 0.43731000 0.91045800 1.0