# generated using pymatgen data_ZrSc(Co5P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57761667 _cell_length_b 10.05212829 _cell_length_c 11.53996229 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc(Co5P3)2 _chemical_formula_sum 'Zr2 Sc2 Co20 P12' _cell_volume 415.00775966 _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 0.25000000 0.58018834 0.70239495 1.0 Zr Zr1 1 0.25000000 0.91981166 0.20239495 1.0 Sc Sc2 1 0.75000000 0.41998459 0.29794659 1.0 Sc Sc3 1 0.75000000 0.08001541 0.79794659 1.0 Co Co4 1 0.25000000 0.71404708 0.99049980 1.0 Co Co5 1 0.25000000 0.78595292 0.49049980 1.0 Co Co6 1 0.75000000 0.28591879 0.00859824 1.0 Co Co7 1 0.75000000 0.21408121 0.50859824 1.0 Co Co8 1 0.25000000 0.40814029 0.48585932 1.0 Co Co9 1 0.25000000 0.09185971 0.98585932 1.0 Co Co10 1 0.75000000 0.59345418 0.51473371 1.0 Co Co11 1 0.75000000 0.90654582 0.01473371 1.0 Co Co12 1 0.25000000 0.22339893 0.17566977 1.0 Co Co13 1 0.25000000 0.27660207 0.67566977 1.0 Co Co14 1 0.75000000 0.77545415 0.82447256 1.0 Co Co15 1 0.75000000 0.72454585 0.32447256 1.0 Co Co16 1 0.25000000 0.88132051 0.70051983 1.0 Co Co17 1 0.25000000 0.61867949 0.20051983 1.0 Co Co18 1 0.75000000 0.11825018 0.29930456 1.0 Co Co19 1 0.75000000 0.38174982 0.79930456 1.0 Co Co20 1 0.25000000 0.46412553 0.93217972 1.0 Co Co21 1 0.25000000 0.03587447 0.43217972 1.0 Co Co22 1 0.75000000 0.53493800 0.06788656 1.0 Co Co23 1 0.75000000 0.96506200 0.56788656 1.0 P P24 1 0.25000000 0.42185830 0.11666273 1.0 P P25 1 0.25000000 0.07814170 0.61666273 1.0 P P26 1 0.75000000 0.57753724 0.88447139 1.0 P P27 1 0.75000000 0.92246276 0.38447139 1.0 P P28 1 0.25000000 0.26449717 0.86596770 1.0 P P29 1 0.25000000 0.23550283 0.36596770 1.0 P P30 1 0.75000000 0.73353901 0.13378175 1.0 P P31 1 0.75000000 0.76646099 0.63378175 1.0 P P32 1 0.25000000 0.59930742 0.39033760 1.0 P P33 1 0.25000000 0.90069258 0.89033760 1.0 P P34 1 0.75000000 0.39948306 0.60871420 1.0 P P35 1 0.75000000 0.10051694 0.10871420 1.0