# generated using pymatgen data_Sc22CoRu7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41963785 _cell_length_b 9.41963812 _cell_length_c 9.41963680 _cell_angle_alpha 60.00000117 _cell_angle_beta 60.00000022 _cell_angle_gamma 60.00000310 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22CoRu7 _chemical_formula_sum 'Sc22 Co1 Ru7' _cell_volume 591.00016090 _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 Sc Sc0 1 0.84380319 0.84380319 0.84380319 1.0 Sc Sc1 1 0.53140958 0.15619681 0.15619681 1.0 Sc Sc2 1 0.15619681 0.15619681 0.53140958 1.0 Sc Sc3 1 0.15619681 0.53140958 0.15619681 1.0 Sc Sc4 1 0.84380319 0.84380319 0.46859042 1.0 Sc Sc5 1 0.84380319 0.46859042 0.84380319 1.0 Sc Sc6 1 0.46859042 0.84380319 0.84380319 1.0 Sc Sc7 1 0.15619681 0.15619681 0.15619681 1.0 Sc Sc8 1 0.19732580 0.80267420 0.19732580 1.0 Sc Sc9 1 0.19732580 0.80267420 0.80267420 1.0 Sc Sc10 1 0.80267420 0.19732580 0.19732580 1.0 Sc Sc11 1 0.80267420 0.80267420 0.19732580 1.0 Sc Sc12 1 0.19732580 0.19732580 0.80267420 1.0 Sc Sc13 1 0.80267420 0.19732580 0.80267420 1.0 Sc Sc14 1 0.38497535 0.38497535 0.38497535 1.0 Sc Sc15 1 0.15492706 0.61502465 0.61502465 1.0 Sc Sc16 1 0.61502465 0.15492706 0.61502465 1.0 Sc Sc17 1 0.61502465 0.61502465 0.15492706 1.0 Sc Sc18 1 0.38497535 0.84507294 0.38497535 1.0 Sc Sc19 1 0.38497535 0.38497535 0.84507294 1.0 Sc Sc20 1 0.84507294 0.38497535 0.38497535 1.0 Sc Sc21 1 0.61502465 0.61502465 0.61502465 1.0 Co Co22 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru23 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru25 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru26 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru27 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru28 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru29 1 0.00000000 0.00000000 0.00000000 1.0