# generated using pymatgen data_Zr4Sc4CoRu7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45668030 _cell_length_b 4.55240106 _cell_length_c 9.09911940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00016506 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Sc4CoRu7 _chemical_formula_sum 'Zr4 Sc4 Co1 Ru7' _cell_volume 267.45404009 _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 Zr Zr0 1 0.75013712 0.25000000 0.12501531 1.0 Zr Zr1 1 0.24942142 0.75000000 0.37444035 1.0 Zr Zr2 1 0.75063420 0.25000000 0.62500377 1.0 Zr Zr3 1 0.24955648 0.75000000 0.87554070 1.0 Sc Sc4 1 0.25121244 0.25000000 0.12499710 1.0 Sc Sc5 1 0.74937381 0.75000000 0.37410208 1.0 Sc Sc6 1 0.25020852 0.25000000 0.62499227 1.0 Sc Sc7 1 0.74951764 0.75000000 0.87590785 1.0 Co Co8 1 0.49983010 0.75000000 0.12500497 1.0 Ru Ru9 1 0.99982935 0.75000000 0.12500032 1.0 Ru Ru10 1 0.49994207 0.25000000 0.37285434 1.0 Ru Ru11 1 0.99997850 0.25000000 0.37391697 1.0 Ru Ru12 1 0.00009610 0.75000000 0.62499012 1.0 Ru Ru13 1 0.50015538 0.75000000 0.62499520 1.0 Ru Ru14 1 0.00007817 0.25000000 0.87608648 1.0 Ru Ru15 1 0.50002871 0.25000000 0.87715517 1.0