# generated using pymatgen data_Y13Sn31Pd40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.21344352 _cell_length_b 20.21344324 _cell_length_c 9.39300467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000046 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y13Sn31Pd40 _chemical_formula_sum 'Y26 Sn62 Pd80' _cell_volume 3323.65374043 _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 Y Y0 1 0.57680627 0.15361254 0.50000000 1.0 Y Y1 1 0.42319373 0.57680627 0.50000000 1.0 Y Y2 1 0.84638746 0.42319373 0.50000000 1.0 Y Y3 1 0.51381745 0.75690873 0.00000000 1.0 Y Y4 1 0.72924796 0.00000000 0.71091004 1.0 Y Y5 1 0.72924796 0.00000000 0.28908996 1.0 Y Y6 1 0.24309127 0.48618255 0.00000000 1.0 Y Y7 1 0.00000000 0.00000000 0.20867547 1.0 Y Y8 1 0.27075204 0.00000000 0.28908996 1.0 Y Y9 1 0.15361254 0.57680627 0.50000000 1.0 Y Y10 1 0.24309127 0.75690873 0.00000000 1.0 Y Y11 1 0.57680627 0.42319373 0.50000000 1.0 Y Y12 1 0.72924796 0.72924796 0.71091004 1.0 Y Y13 1 0.27075204 0.27075204 0.28908996 1.0 Y Y14 1 0.27075204 0.00000000 0.71091004 1.0 Y Y15 1 0.00000000 0.72924796 0.71091004 1.0 Y Y16 1 0.00000000 0.72924796 0.28908996 1.0 Y Y17 1 0.00000000 0.27075204 0.28908996 1.0 Y Y18 1 0.75690873 0.51381745 0.00000000 1.0 Y Y19 1 0.27075204 0.27075204 0.71091004 1.0 Y Y20 1 0.75690873 0.24309127 0.00000000 1.0 Y Y21 1 0.00000000 0.27075204 0.71091004 1.0 Y Y22 1 0.72924796 0.72924796 0.28908996 1.0 Y Y23 1 0.42319373 0.84638746 0.50000000 1.0 Y Y24 1 0.48618255 0.24309127 0.00000000 1.0 Y Y25 1 0.00000000 0.00000000 0.79132453 1.0 Sn Sn26 1 0.82268118 0.64536235 0.76830658 1.0 Sn Sn27 1 0.60704741 0.21409481 0.81382899 1.0 Sn Sn28 1 0.60704741 0.21409481 0.18617101 1.0 Sn Sn29 1 0.39295259 0.60704741 0.18617101 1.0 Sn Sn30 1 0.12592406 0.41132023 0.50000000 1.0 Sn Sn31 1 0.00000000 0.50000000 0.73979210 1.0 Sn Sn32 1 0.17731882 0.82268118 0.23169342 1.0 Sn Sn33 1 0.35463765 0.17731882 0.23169342 1.0 Sn Sn34 1 0.50000000 0.00000000 0.26020790 1.0 Sn Sn35 1 0.00000000 0.16198910 0.00000000 1.0 Sn Sn36 1 0.28539617 0.41132023 0.50000000 1.0 Sn Sn37 1 0.82268118 0.64536235 0.23169342 1.0 Sn Sn38 1 0.71460383 0.12592406 0.50000000 1.0 Sn Sn39 1 0.16198910 0.16198910 0.00000000 1.0 Sn Sn40 1 0.58867977 0.71460383 0.50000000 1.0 Sn Sn41 1 0.21409481 0.60704741 0.18617101 1.0 Sn Sn42 1 0.85405678 0.00000000 0.50000000 1.0 Sn Sn43 1 0.00000000 0.50000000 0.26020790 1.0 Sn Sn44 1 0.33333300 0.66666700 0.50000000 1.0 Sn Sn45 1 0.60704741 0.39295259 0.18617101 1.0 Sn Sn46 1 0.83801090 0.00000000 0.00000000 1.0 Sn Sn47 1 0.85405678 0.85405678 0.50000000 1.0 Sn Sn48 1 0.82268118 0.17731882 0.23169342 1.0 Sn Sn49 1 0.64536235 0.82268118 0.76830658 1.0 Sn Sn50 1 0.60704741 0.39295259 0.81382899 1.0 Sn Sn51 1 0.14594322 0.00000000 0.50000000 1.0 Sn Sn52 1 0.66666700 0.33333300 0.50000000 1.0 Sn Sn53 1 0.41132023 0.28539617 0.50000000 1.0 Sn Sn54 1 0.50000000 0.00000000 0.73979210 1.0 Sn Sn55 1 0.35463765 0.17731882 0.76830658 1.0 Sn Sn56 1 0.78590519 0.39295259 0.18617101 1.0 Sn Sn57 1 1.00000000 0.85405678 0.50000000 1.0 Sn Sn58 1 1.00000000 0.83801090 0.00000000 1.0 Sn Sn59 1 0.14594322 0.14594322 0.50000000 1.0 Sn Sn60 1 0.39295259 0.60704741 0.81382899 1.0 Sn Sn61 1 0.50000000 0.50000000 0.73979210 1.0 Sn Sn62 1 0.82268118 0.17731882 0.76830658 1.0 Sn Sn63 1 0.12592406 0.71460383 0.50000000 1.0 Sn Sn64 1 0.83801090 0.83801090 0.00000000 1.0 Sn Sn65 1 0.87407594 0.28539617 0.50000000 1.0 Sn Sn66 1 0.39295259 0.78590519 0.18617101 1.0 Sn Sn67 1 0.00000000 0.61275258 0.00000000 1.0 Sn Sn68 1 0.17731882 0.35463765 0.23169342 1.0 Sn Sn69 1 0.00000000 0.14594322 0.50000000 1.0 Sn Sn70 1 0.50000000 0.50000000 0.26020790 1.0 Sn Sn71 1 0.38724742 0.00000000 0.00000000 1.0 Sn Sn72 1 0.64536235 0.82268118 0.23169342 1.0 Sn Sn73 1 0.17731882 0.35463765 0.76830658 1.0 Sn Sn74 1 0.39295259 0.78590519 0.81382899 1.0 Sn Sn75 1 0.21409481 0.60704741 0.81382899 1.0 Sn Sn76 1 0.78590519 0.39295259 0.81382899 1.0 Sn Sn77 1 0.58867977 0.87407594 0.50000000 1.0 Sn Sn78 1 0.71460383 0.58867977 0.50000000 1.0 Sn Sn79 1 0.41132023 0.12592406 0.50000000 1.0 Sn Sn80 1 0.17731882 0.82268118 0.76830658 1.0 Sn Sn81 1 0.38724742 0.38724742 0.00000000 1.0 Sn Sn82 1 0.87407594 0.58867977 0.50000000 1.0 Sn Sn83 1 0.16198910 0.00000000 0.00000000 1.0 Sn Sn84 1 0.28539617 0.87407594 0.50000000 1.0 Sn Sn85 1 0.61275258 0.61275258 0.00000000 1.0 Sn Sn86 1 0.61275258 0.00000000 0.00000000 1.0 Sn Sn87 1 1.00000000 0.38724742 0.00000000 1.0 Pd Pd88 1 0.10576703 0.65841698 0.77889359 1.0 Pd Pd89 1 0.26045193 0.73954807 0.65281949 1.0 Pd Pd90 1 0.73954807 0.26045193 0.34718051 1.0 Pd Pd91 1 0.32071493 0.23572018 0.00000000 1.0 Pd Pd92 1 0.57706026 0.00000000 0.50000000 1.0 Pd Pd93 1 0.44735005 0.34158302 0.22110641 1.0 Pd Pd94 1 0.47909614 0.73954807 0.65281949 1.0 Pd Pd95 1 0.08911028 0.54455514 0.00000000 1.0 Pd Pd96 1 0.54455514 0.45544486 0.00000000 1.0 Pd Pd97 1 0.26045193 0.73954807 0.34718051 1.0 Pd Pd98 1 0.91500525 0.67928507 0.00000000 1.0 Pd Pd99 1 0.82489564 0.91244782 0.24329765 1.0 Pd Pd100 1 0.65841698 0.55264995 0.22110641 1.0 Pd Pd101 1 0.91244782 0.08755218 0.75670235 1.0 Pd Pd102 1 0.89423297 0.34158302 0.77889359 1.0 Pd Pd103 1 0.73954807 0.47909614 0.34718051 1.0 Pd Pd104 1 0.55264995 0.65841698 0.22110641 1.0 Pd Pd105 1 0.08499475 0.76427982 0.00000000 1.0 Pd Pd106 1 0.65841698 0.10576703 0.22110641 1.0 Pd Pd107 1 0.73954807 0.47909614 0.65281949 1.0 Pd Pd108 1 0.67928507 0.76427982 0.00000000 1.0 Pd Pd109 1 0.14211402 0.85788598 0.50000000 1.0 Pd Pd110 1 0.91244782 0.82489564 0.24329765 1.0 Pd Pd111 1 0.26045193 0.52090386 0.65281949 1.0 Pd Pd112 1 0.55264995 0.65841698 0.77889359 1.0 Pd Pd113 1 0.76427982 0.67928507 0.00000000 1.0 Pd Pd114 1 0.89423297 0.34158302 0.22110641 1.0 Pd Pd115 1 0.65841698 0.55264995 0.77889359 1.0 Pd Pd116 1 0.52090386 0.26045193 0.34718051 1.0 Pd Pd117 1 0.08755218 0.17510436 0.75670235 1.0 Pd Pd118 1 0.08755218 0.17510436 0.24329765 1.0 Pd Pd119 1 0.85788598 0.71577196 0.50000000 1.0 Pd Pd120 1 0.33333300 0.66666700 0.00000000 1.0 Pd Pd121 1 0.14211402 0.28422804 0.50000000 1.0 Pd Pd122 1 0.45544486 0.91088972 0.00000000 1.0 Pd Pd123 1 0.82489564 0.91244782 0.75670235 1.0 Pd Pd124 1 0.91244782 0.08755218 0.24329765 1.0 Pd Pd125 1 0.45544486 0.54455514 0.00000000 1.0 Pd Pd126 1 0.26045193 0.52090386 0.34718051 1.0 Pd Pd127 1 0.65841698 0.10576703 0.77889359 1.0 Pd Pd128 1 0.91244782 0.82489564 0.75670235 1.0 Pd Pd129 1 0.17510436 0.08755218 0.75670235 1.0 Pd Pd130 1 0.52090386 0.26045193 0.65281949 1.0 Pd Pd131 1 0.34158302 0.89423297 0.22110641 1.0 Pd Pd132 1 0.57706026 0.57706026 0.50000000 1.0 Pd Pd133 1 0.23572018 0.91500525 0.00000000 1.0 Pd Pd134 1 0.32071493 0.08499475 0.00000000 1.0 Pd Pd135 1 0.00000000 0.42293974 0.50000000 1.0 Pd Pd136 1 0.85788598 0.14211402 0.50000000 1.0 Pd Pd137 1 0.42293974 0.42293974 0.50000000 1.0 Pd Pd138 1 0.66666700 0.33333300 0.00000000 1.0 Pd Pd139 1 0.17510436 0.08755218 0.24329765 1.0 Pd Pd140 1 0.42293974 0.00000000 0.50000000 1.0 Pd Pd141 1 0.71577196 0.85788598 0.50000000 1.0 Pd Pd142 1 0.08755218 0.91244782 0.24329765 1.0 Pd Pd143 1 0.54455514 0.08911028 0.00000000 1.0 Pd Pd144 1 0.34158302 0.44735005 0.22110641 1.0 Pd Pd145 1 0.08499475 0.32071493 0.00000000 1.0 Pd Pd146 1 0.34158302 0.89423297 0.77889359 1.0 Pd Pd147 1 0.76427982 0.08499475 0.00000000 1.0 Pd Pd148 1 0.44735005 0.10576703 0.22110641 1.0 Pd Pd149 1 0.44735005 0.34158302 0.77889359 1.0 Pd Pd150 1 0.28422804 0.14211402 0.50000000 1.0 Pd Pd151 1 0.34158302 0.44735005 0.77889359 1.0 Pd Pd152 1 0.67928507 0.91500525 0.00000000 1.0 Pd Pd153 1 0.44735005 0.10576703 0.77889359 1.0 Pd Pd154 1 0.89423297 0.55264995 0.77889359 1.0 Pd Pd155 1 0.73954807 0.26045193 0.65281949 1.0 Pd Pd156 1 0.10576703 0.65841698 0.22110641 1.0 Pd Pd157 1 0.23572018 0.32071493 0.00000000 1.0 Pd Pd158 1 0.55264995 0.89423297 0.22110641 1.0 Pd Pd159 1 0.08755218 0.91244782 0.75670235 1.0 Pd Pd160 1 0.10576703 0.44735005 0.22110641 1.0 Pd Pd161 1 0.10576703 0.44735005 0.77889359 1.0 Pd Pd162 1 0.91500525 0.23572018 0.00000000 1.0 Pd Pd163 1 0.55264995 0.89423297 0.77889359 1.0 Pd Pd164 1 0.89423297 0.55264995 0.22110641 1.0 Pd Pd165 1 0.00000000 0.57706026 0.50000000 1.0 Pd Pd166 1 0.47909614 0.73954807 0.34718051 1.0 Pd Pd167 1 0.91088972 0.45544486 0.00000000 1.0