# generated using pymatgen data_Mg2B4Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94987707 _cell_length_b 8.35945167 _cell_length_c 10.00288868 _cell_angle_alpha 89.99896966 _cell_angle_beta 90.00000073 _cell_angle_gamma 90.00000120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2B4Ru5 _chemical_formula_sum 'Mg4 B8 Ru10' _cell_volume 246.66478096 _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 Mg Mg0 1 0.50000010 0.64690325 0.81487222 1.0 Mg Mg1 1 0.49999996 0.35309099 0.18512221 1.0 Mg Mg2 1 0.49999999 0.14689940 0.68508727 1.0 Mg Mg3 1 0.49999982 0.85310265 0.31491873 1.0 B B4 1 0.49999991 0.85222706 0.60265316 1.0 B B5 1 0.49999981 0.14778348 0.39733288 1.0 B B6 1 0.50000020 0.35222614 0.89734286 1.0 B B7 1 0.50000017 0.64776417 0.10266137 1.0 B B8 1 0.50000000 0.96016758 0.91081321 1.0 B B9 1 0.49999986 0.03984750 0.08919151 1.0 B B10 1 0.50000014 0.46015094 0.58918297 1.0 B B11 1 0.50000008 0.53982825 0.41081479 1.0 Ru Ru12 1 0.00000005 0.39430162 0.73742148 1.0 Ru Ru13 1 0.00000003 0.60567503 0.26257315 1.0 Ru Ru14 1 -0.00000001 0.89428013 0.76250267 1.0 Ru Ru15 1 -0.00000012 0.10572911 0.23749884 1.0 Ru Ru16 1 -0.00000009 0.00001633 0.49998874 1.0 Ru Ru17 1 0.00000004 0.49999777 0.00001638 1.0 Ru Ru18 1 0.00000001 0.65546182 0.54787045 1.0 Ru Ru19 1 0.00000002 0.34453414 0.45210249 1.0 Ru Ru20 1 0.00000005 0.15547339 0.95212182 1.0 Ru Ru21 1 -0.00000003 0.84454028 0.04790980 1.0