# generated using pymatgen data_ZrSc2Ru4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35482674 _cell_length_b 4.50118977 _cell_length_c 9.01789236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc2Ru4W _chemical_formula_sum 'Zr2 Sc4 Ru8 W2' _cell_volume 257.95032797 _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 Zr Zr0 1 0.75004764 0.25000000 0.62411960 1.0 Zr Zr1 1 0.25004664 0.75000000 0.87587940 1.0 Sc Sc2 1 0.24994911 0.25000000 0.12667496 1.0 Sc Sc3 1 0.74995011 0.75000000 0.37332504 1.0 Sc Sc4 1 0.25004195 0.25000000 0.62280313 1.0 Sc Sc5 1 0.75004095 0.75000000 0.87719787 1.0 Ru Ru6 1 0.50518580 0.75000000 0.13259595 1.0 Ru Ru7 1 0.99475418 0.75000000 0.13260304 1.0 Ru Ru8 1 0.49475318 0.25000000 0.36739796 1.0 Ru Ru9 1 0.00518580 0.25000000 0.36740405 1.0 Ru Ru10 1 0.00606581 0.75000000 0.61643706 1.0 Ru Ru11 1 0.49399564 0.75000000 0.61644478 1.0 Ru Ru12 1 0.99399564 0.25000000 0.88355622 1.0 Ru Ru13 1 0.50606481 0.25000000 0.88356294 1.0 W W14 1 0.74996088 0.25000000 0.12531610 1.0 W W15 1 0.24996188 0.75000000 0.37468290 1.0