# generated using pymatgen data_Ni8RuS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02678634 _cell_length_b 7.02678616 _cell_length_c 7.02678732 _cell_angle_alpha 59.99999919 _cell_angle_beta 60.00000002 _cell_angle_gamma 59.99999918 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni8RuS8 _chemical_formula_sum 'Ni8 Ru1 S8' _cell_volume 245.33261713 _cell_formula_units_Z 1 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 Ni Ni0 1 0.62085183 0.12638306 0.12638306 1.0 Ni Ni1 1 0.12638306 0.62085183 0.12638306 1.0 Ni Ni2 1 0.12638306 0.12638306 0.62085183 1.0 Ni Ni3 1 0.12638306 0.12638306 0.12638306 1.0 Ni Ni4 1 0.37914817 0.87361694 0.87361694 1.0 Ni Ni5 1 0.87361694 0.37914817 0.87361694 1.0 Ni Ni6 1 0.87361694 0.87361694 0.37914817 1.0 Ni Ni7 1 0.87361694 0.87361694 0.87361694 1.0 Ru Ru8 1 0.50000000 0.50000000 0.50000000 1.0 S S9 1 0.25000000 0.25000000 0.25000000 1.0 S S10 1 0.75000000 0.75000000 0.75000000 1.0 S S11 1 0.74007892 0.25992108 0.25992108 1.0 S S12 1 0.74007892 0.25992108 0.74007892 1.0 S S13 1 0.74007892 0.74007892 0.25992108 1.0 S S14 1 0.25992108 0.74007892 0.74007892 1.0 S S15 1 0.25992108 0.74007892 0.25992108 1.0 S S16 1 0.25992108 0.25992108 0.74007892 1.0