# generated using pymatgen data_Cd85Pd27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83206036 _cell_length_b 8.83206034 _cell_length_c 30.67814834 _cell_angle_alpha 95.43302630 _cell_angle_beta 95.43302628 _cell_angle_gamma 110.01362488 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd85Pd27 _chemical_formula_sum 'Cd85 Pd27' _cell_volume 2217.68646263 _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 Cd Cd0 1 0.33617726 0.71316693 0.77783528 1.0 Cd Cd1 1 0.19312434 0.55087813 0.44765479 1.0 Cd Cd2 1 0.55087813 0.19312434 0.44765479 1.0 Cd Cd3 1 0.26715096 0.26715096 0.09502643 1.0 Cd Cd4 1 0.29221543 0.06165965 0.23087119 1.0 Cd Cd5 1 0.40100934 0.40100934 0.38100007 1.0 Cd Cd6 1 0.87606148 0.65507025 0.61866932 1.0 Cd Cd7 1 0.78210483 0.78210483 0.14599782 1.0 Cd Cd8 1 0.83078846 0.06134424 0.76912881 1.0 Cd Cd9 1 0.10322334 0.74546955 0.55234521 1.0 Cd Cd10 1 0.90793515 0.15712112 0.07969321 1.0 Cd Cd11 1 0.80163179 0.44364789 0.91384995 1.0 Cd Cd12 1 0.39493603 0.76686402 0.38669812 1.0 Cd Cd13 1 0.02000927 0.02000927 0.61899993 1.0 Cd Cd14 1 0.93533165 0.55834197 0.22216472 1.0 Cd Cd15 1 0.94206044 0.31497612 0.00000000 1.0 Cd Cd16 1 0.79275743 0.54377081 0.30561203 1.0 Cd Cd17 1 0.60764793 0.98178059 0.83539229 1.0 Cd Cd18 1 0.98178059 0.60764793 0.83539229 1.0 Cd Cd19 1 0.52598424 0.88354818 0.70342966 1.0 Cd Cd20 1 0.54377081 0.79275743 0.30561203 1.0 Cd Cd21 1 0.65742421 0.42078888 0.15304327 1.0 Cd Cd22 1 0.07742791 0.82824195 0.92030679 1.0 Cd Cd23 1 0.48714540 0.23815878 0.69438797 1.0 Cd Cd24 1 0.14896449 0.50416071 0.93464041 1.0 Cd Cd25 1 0.53472779 0.53472779 0.47307253 1.0 Cd Cd26 1 0.14638830 0.77225564 0.16460771 1.0 Cd Cd27 1 0.26774562 0.50438095 0.84695673 1.0 Cd Cd28 1 0.90507369 0.25493376 0.46728867 1.0 Cd Cd29 1 0.15712112 0.90793515 0.07969321 1.0 Cd Cd30 1 0.14981821 0.14981821 0.71412408 1.0 Cd Cd31 1 0.82369266 0.17993872 0.68164418 1.0 Cd Cd32 1 0.35654268 0.35654268 0.18986986 1.0 Cd Cd33 1 0.67157676 0.45022367 0.00000000 1.0 Cd Cd34 1 0.63610700 0.63610700 0.85400218 1.0 Cd Cd35 1 0.06165526 0.06165526 0.52692747 1.0 Cd Cd36 1 0.38016590 0.00823792 0.61330188 1.0 Cd Cd37 1 0.06165965 0.29221543 0.23087119 1.0 Cd Cd38 1 0.65507025 0.87606148 0.61866932 1.0 Cd Cd39 1 0.78764509 0.43778502 0.53271133 1.0 Cd Cd40 1 0.89461476 0.89461476 0.33095193 1.0 Cd Cd41 1 0.69145409 0.69145409 0.76378063 1.0 Cd Cd42 1 0.71316693 0.33617726 0.77783528 1.0 Cd Cd43 1 0.52995534 0.52995534 0.57308266 1.0 Cd Cd44 1 0.49829455 0.14204848 0.31835582 1.0 Cd Cd45 1 0.16667283 0.16667283 0.81013014 1.0 Cd Cd46 1 0.25493376 0.90507369 0.46728867 1.0 Cd Cd47 1 0.30586354 0.30586354 1.00000000 1.0 Cd Cd48 1 0.43778502 0.78764509 0.53271133 1.0 Cd Cd49 1 0.55834197 0.93533165 0.22216472 1.0 Cd Cd50 1 0.50416071 0.14896449 0.93464041 1.0 Cd Cd51 1 0.80593818 0.80593818 0.04869953 1.0 Cd Cd52 1 0.74546955 0.10322334 0.55234521 1.0 Cd Cd53 1 0.43569413 0.43569413 0.28587592 1.0 Cd Cd54 1 0.95687268 0.95687268 0.42691734 1.0 Cd Cd55 1 0.52979793 0.88778183 0.08615005 1.0 Cd Cd56 1 0.42834931 0.18936431 0.53722359 1.0 Cd Cd57 1 0.92767346 0.92767346 0.23621937 1.0 Cd Cd58 1 0.44364789 0.80163179 0.91384995 1.0 Cd Cd59 1 0.25739216 0.03640093 0.38133068 1.0 Cd Cd60 1 0.88354818 0.52598424 0.70342966 1.0 Cd Cd61 1 0.23815878 0.48714540 0.69438797 1.0 Cd Cd62 1 0.06134424 0.83078846 0.76912881 1.0 Cd Cd63 1 0.21432408 0.56952029 0.06535959 1.0 Cd Cd64 1 0.14204848 0.49829455 0.31835582 1.0 Cd Cd65 1 0.18011852 0.82255459 0.29657034 1.0 Cd Cd66 1 0.76686402 0.39493603 0.38669812 1.0 Cd Cd67 1 0.00823792 0.38016590 0.61330188 1.0 Cd Cd68 1 0.56952029 0.21432408 0.06535959 1.0 Cd Cd69 1 0.17212453 0.17212453 0.90497357 1.0 Cd Cd70 1 0.89112572 0.65214072 0.46277641 1.0 Cd Cd71 1 0.56366284 0.56366284 0.66904807 1.0 Cd Cd72 1 0.17993872 0.82369266 0.68164418 1.0 Cd Cd73 1 0.50438095 0.26774562 0.84695673 1.0 Cd Cd74 1 0.77225564 0.14638830 0.16460771 1.0 Cd Cd75 1 0.88778183 0.52979793 0.08615005 1.0 Cd Cd76 1 0.42078888 0.65742421 0.15304327 1.0 Cd Cd77 1 0.03640093 0.25739216 0.38133068 1.0 Cd Cd78 1 0.18936431 0.42834931 0.53722359 1.0 Cd Cd79 1 0.45022367 0.67157676 0.00000000 1.0 Cd Cd80 1 0.82255459 0.18011852 0.29657034 1.0 Cd Cd81 1 0.65214072 0.89112572 0.46277641 1.0 Cd Cd82 1 0.75723864 0.75723864 0.95130047 1.0 Cd Cd83 1 0.82824195 0.07742791 0.92030679 1.0 Cd Cd84 1 0.31497612 0.94206044 0.00000000 1.0 Pd Pd85 1 0.78402407 0.78402407 0.53870182 1.0 Pd Pd86 1 0.42582401 0.07554322 0.14831089 1.0 Pd Pd87 1 0.16656529 0.16656529 0.30572825 1.0 Pd Pd88 1 0.04706981 0.39705661 0.76449567 1.0 Pd Pd89 1 0.07554322 0.42582401 0.14831089 1.0 Pd Pd90 1 0.02771080 0.02771080 0.00000000 1.0 Pd Pd91 1 0.24532226 0.24532226 0.46129818 1.0 Pd Pd92 1 0.66083315 0.01449386 0.00000000 1.0 Pd Pd93 1 0.90882881 0.90882881 0.84433853 1.0 Pd Pd94 1 0.66619412 0.31177450 0.61722464 1.0 Pd Pd95 1 0.04896948 0.69454985 0.38277536 1.0 Pd Pd96 1 0.86083703 0.86083703 0.69427175 1.0 Pd Pd97 1 0.92723233 0.27751312 0.85168911 1.0 Pd Pd98 1 0.67909255 0.67909255 0.38496405 1.0 Pd Pd99 1 0.54143163 0.54143163 0.07721304 1.0 Pd Pd100 1 0.28257414 0.63256093 0.23550433 1.0 Pd Pd101 1 0.06449029 0.06449029 0.15566147 1.0 Pd Pd102 1 0.64393048 0.64393048 0.22927416 1.0 Pd Pd103 1 0.46421859 0.46421859 0.92278696 1.0 Pd Pd104 1 0.69454985 0.04896948 0.38277536 1.0 Pd Pd105 1 0.01449386 0.66083315 0.00000000 1.0 Pd Pd106 1 0.29412850 0.29412850 0.61503595 1.0 Pd Pd107 1 0.39705661 0.04706981 0.76449567 1.0 Pd Pd108 1 0.27751312 0.92723233 0.85168911 1.0 Pd Pd109 1 0.31177450 0.66619412 0.61722464 1.0 Pd Pd110 1 0.63256093 0.28257414 0.23550433 1.0 Pd Pd111 1 0.41465632 0.41465632 0.77072584 1.0