# generated using pymatgen data_Sc5Mn2Co17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.77897480 _cell_length_b 11.80528981 _cell_length_c 3.56860170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.07391918 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Mn2Co17P12 _chemical_formula_sum 'Sc5 Mn2 Co17 P12' _cell_volume 429.42654373 _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 0.66741270 0.33434376 0.00000000 1.0 Sc Sc1 1 0.33258730 0.66693305 0.00000000 1.0 Sc Sc2 1 0.18461057 0.18365027 0.50000000 1.0 Sc Sc3 1 0.81538943 0.99903970 0.50000000 1.0 Sc Sc4 1 0.00000000 0.81099843 0.50000000 1.0 Mn Mn5 1 0.55624558 0.55701267 0.00000000 1.0 Mn Mn6 1 0.44375442 0.00076709 0.00000000 1.0 Co Co7 1 0.00000000 0.44735876 0.00000000 1.0 Co Co8 1 0.82379245 0.19917085 0.00000000 1.0 Co Co9 1 0.80379213 0.62372702 0.00000000 1.0 Co Co10 1 0.37444780 0.17911168 0.00000000 1.0 Co Co11 1 0.19620787 0.81993489 0.00000000 1.0 Co Co12 1 0.62555220 0.80466289 0.00000000 1.0 Co Co13 1 0.17620755 0.37537840 0.00000000 1.0 Co Co14 1 0.64452245 0.12825009 0.50000000 1.0 Co Co15 1 0.87483040 0.51575387 0.50000000 1.0 Co Co16 1 0.48336104 0.35782631 0.50000000 1.0 Co Co17 1 0.12516960 0.64092347 0.50000000 1.0 Co Co18 1 0.51663896 0.87446427 0.50000000 1.0 Co Co19 1 0.35547755 0.48372765 0.50000000 1.0 Co Co20 1 0.71712446 0.71659751 0.50000000 1.0 Co Co21 1 0.28287554 0.99947305 0.50000000 1.0 Co Co22 1 1.00000000 0.28336064 0.50000000 1.0 Co Co23 1 1.00000000 0.00067791 0.00000000 1.0 P P24 1 0.35744714 0.35881507 0.00000000 1.0 P P25 1 0.64255286 0.00136793 0.00000000 1.0 P P26 1 1.00000000 0.63584740 0.00000000 1.0 P P27 1 0.83276488 0.31537877 0.50000000 1.0 P P28 1 0.68723237 0.51665234 0.50000000 1.0 P P29 1 0.48309127 0.17101728 0.50000000 1.0 P P30 1 0.31276763 0.82941997 0.50000000 1.0 P P31 1 0.51690873 0.68792601 0.50000000 1.0 P P32 1 0.16723512 0.48261289 0.50000000 1.0 P P33 1 0.82295884 0.82161066 0.00000000 1.0 P P34 1 0.17704116 0.99865181 0.00000000 1.0 P P35 1 1.00000000 0.17754863 0.00000000 1.0