# generated using pymatgen data_Nb2SiIrRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01309214 _cell_length_b 5.42263321 _cell_length_c 10.66247233 _cell_angle_alpha 89.31761165 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SiIrRu4 _chemical_formula_sum 'Nb4 Si2 Ir2 Ru8' _cell_volume 232.01521998 _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 Nb Nb0 1 0.50000000 0.82795276 0.36202133 1.0 Nb Nb1 1 0.50000000 0.17204724 0.63797867 1.0 Nb Nb2 1 0.50000000 0.31826391 0.13843524 1.0 Nb Nb3 1 0.50000000 0.68173609 0.86156476 1.0 Si Si4 1 0.00000000 0.50000000 0.50000000 1.0 Si Si5 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir6 1 0.00000000 0.57405948 0.24892163 1.0 Ir Ir7 1 0.00000000 0.42594052 0.75107837 1.0 Ru Ru8 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru9 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru10 1 0.00000000 0.07491126 0.25010653 1.0 Ru Ru11 1 0.00000000 0.92508874 0.74989347 1.0 Ru Ru12 1 0.50000000 0.81806531 0.10584488 1.0 Ru Ru13 1 0.50000000 0.18193469 0.89415512 1.0 Ru Ru14 1 0.50000000 0.32149390 0.39414381 1.0 Ru Ru15 1 0.50000000 0.67850610 0.60585619 1.0