# generated using pymatgen data_V3Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16322536 _cell_length_b 5.18154386 _cell_length_c 17.51435208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Ru4 _chemical_formula_sum 'V12 Ru16' _cell_volume 377.81846134 _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 V V0 1 0.75000000 0.49745594 0.10482753 1.0 V V1 1 0.25000000 0.50254406 0.89517247 1.0 V V2 1 0.75000000 0.99745594 0.39517247 1.0 V V3 1 0.25000000 0.00254406 0.60482753 1.0 V V4 1 0.75000000 0.33749435 0.53259871 1.0 V V5 1 0.25000000 0.66250565 0.46740129 1.0 V V6 1 0.75000000 0.83749435 0.96740129 1.0 V V7 1 0.25000000 0.16250565 0.03259871 1.0 V V8 1 0.75000000 0.15236687 0.81224304 1.0 V V9 1 0.25000000 0.84763313 0.18775696 1.0 V V10 1 0.75000000 0.65236687 0.68775696 1.0 V V11 1 0.25000000 0.34763313 0.31224304 1.0 Ru Ru12 1 0.75000000 0.13553393 0.26537944 1.0 Ru Ru13 1 0.25000000 0.86446607 0.73462056 1.0 Ru Ru14 1 0.75000000 0.63553393 0.23462056 1.0 Ru Ru15 1 0.25000000 0.36446607 0.76537944 1.0 Ru Ru16 1 0.75000000 0.50056045 0.39433440 1.0 Ru Ru17 1 0.25000000 0.49943955 0.60566560 1.0 Ru Ru18 1 0.75000000 0.00056045 0.10566560 1.0 Ru Ru19 1 0.25000000 0.99943955 0.89433440 1.0 Ru Ru20 1 0.75000000 0.32947606 0.96351579 1.0 Ru Ru21 1 0.25000000 0.67052394 0.03648421 1.0 Ru Ru22 1 0.75000000 0.82947606 0.53648421 1.0 Ru Ru23 1 0.25000000 0.17052394 0.46351579 1.0 Ru Ru24 1 0.75000000 0.17069435 0.66801546 1.0 Ru Ru25 1 0.25000000 0.82930565 0.33198454 1.0 Ru Ru26 1 0.75000000 0.67069435 0.83198454 1.0 Ru Ru27 1 0.25000000 0.32930565 0.16801546 1.0