# generated using pymatgen data_Hf2V3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21955304 _cell_length_b 5.21956206 _cell_length_c 8.18409031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00005794 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2V3Ru _chemical_formula_sum 'Hf4 V6 Ru2' _cell_volume 193.09373013 _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 Hf Hf0 1 0.33333530 0.66666815 0.43941170 1.0 Hf Hf1 1 0.66666470 0.33333185 0.56058830 1.0 Hf Hf2 1 0.66666470 0.33333185 0.93941070 1.0 Hf Hf3 1 0.33333530 0.66666815 0.06058930 1.0 V V4 1 0.83005715 0.16994005 0.25000100 1.0 V V5 1 0.83005715 0.66011609 0.25000100 1.0 V V6 1 0.33988201 0.16994050 0.25000100 1.0 V V7 1 0.16994285 0.83005995 0.74999900 1.0 V V8 1 0.16994285 0.33988391 0.74999900 1.0 V V9 1 0.66011799 0.83005950 0.74999900 1.0 Ru Ru10 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru11 1 -0.00000000 -0.00000000 -0.00000000 1.0