# generated using pymatgen data_Ce20Mg19Zn81 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.75044141 _cell_length_b 14.75044086 _cell_length_c 14.75044148 _cell_angle_alpha 60.00000072 _cell_angle_beta 60.00000197 _cell_angle_gamma 60.00000129 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce20Mg19Zn81 _chemical_formula_sum 'Ce20 Mg19 Zn81' _cell_volume 2269.34252714 _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 Ce Ce0 1 0.15348498 0.15348498 0.15348498 1.0 Ce Ce1 1 0.39803203 0.39803203 0.80590390 1.0 Ce Ce2 1 0.96655422 0.96655422 0.53344578 1.0 Ce Ce3 1 0.17195959 0.17195959 0.82804041 1.0 Ce Ce4 1 0.39803203 0.39803203 0.39803203 1.0 Ce Ce5 1 0.96655422 0.53344578 0.53344578 1.0 Ce Ce6 1 0.80590390 0.39803203 0.39803203 1.0 Ce Ce7 1 0.96655422 0.53344578 0.96655422 1.0 Ce Ce8 1 0.15348498 0.15348498 0.53954505 1.0 Ce Ce9 1 0.15348498 0.53954505 0.15348498 1.0 Ce Ce10 1 0.53954505 0.15348498 0.15348498 1.0 Ce Ce11 1 0.82804041 0.17195959 0.82804041 1.0 Ce Ce12 1 0.39803203 0.80590390 0.39803203 1.0 Ce Ce13 1 0.17195959 0.82804041 0.17195959 1.0 Ce Ce14 1 0.53344578 0.96655422 0.53344578 1.0 Ce Ce15 1 0.82804041 0.17195959 0.17195959 1.0 Ce Ce16 1 0.53344578 0.96655422 0.96655422 1.0 Ce Ce17 1 0.17195959 0.82804041 0.82804041 1.0 Ce Ce18 1 0.53344578 0.53344578 0.96655422 1.0 Ce Ce19 1 0.82804041 0.82804041 0.17195959 1.0 Mg Mg20 1 0.77366944 0.44048772 0.77366944 1.0 Mg Mg21 1 0.44048772 0.77366944 0.77366944 1.0 Mg Mg22 1 0.01217339 0.44048772 0.77366944 1.0 Mg Mg23 1 0.77366944 0.01217339 0.77366944 1.0 Mg Mg24 1 0.77366944 0.77366944 0.44048772 1.0 Mg Mg25 1 0.77366944 0.01217339 0.44048772 1.0 Mg Mg26 1 0.01217339 0.77366944 0.44048772 1.0 Mg Mg27 1 0.44048772 0.01217339 0.77366944 1.0 Mg Mg28 1 0.66784931 0.33215069 0.33215069 1.0 Mg Mg29 1 0.33215069 0.33215069 0.66784931 1.0 Mg Mg30 1 0.33215069 0.66784931 0.66784931 1.0 Mg Mg31 1 0.44048772 0.77366944 0.01217339 1.0 Mg Mg32 1 0.66784931 0.33215069 0.66784931 1.0 Mg Mg33 1 0.77366944 0.77366944 0.01217339 1.0 Mg Mg34 1 0.66784931 0.66784931 0.33215069 1.0 Mg Mg35 1 0.77366944 0.44048772 0.01217339 1.0 Mg Mg36 1 0.25000000 0.25000000 0.25000000 1.0 Mg Mg37 1 0.33215069 0.66784931 0.33215069 1.0 Mg Mg38 1 0.01217339 0.77366944 0.77366944 1.0 Zn Zn39 1 0.20192774 0.38367683 0.38367683 1.0 Zn Zn40 1 0.58712531 0.88668107 0.34914095 1.0 Zn Zn41 1 0.88668107 0.34914095 0.17705267 1.0 Zn Zn42 1 0.23929049 0.92023650 0.92023650 1.0 Zn Zn43 1 0.38367683 0.38367683 0.20192774 1.0 Zn Zn44 1 0.67254411 0.67254411 0.67254411 1.0 Zn Zn45 1 0.17705267 0.34914095 0.88668107 1.0 Zn Zn46 1 0.88668107 0.17705267 0.58712531 1.0 Zn Zn47 1 0.36098360 0.54633880 0.54633880 1.0 Zn Zn48 1 0.58712531 0.88668107 0.17705267 1.0 Zn Zn49 1 0.79712503 0.79712503 0.79712503 1.0 Zn Zn50 1 0.67254411 0.67254411 0.98236768 1.0 Zn Zn51 1 0.54768500 0.73224369 0.17238632 1.0 Zn Zn52 1 0.54768500 0.54768500 0.17238632 1.0 Zn Zn53 1 0.17238632 0.54768500 0.73224369 1.0 Zn Zn54 1 0.38367683 0.20192774 0.03071861 1.0 Zn Zn55 1 0.07143769 0.78568694 0.07143769 1.0 Zn Zn56 1 0.54633880 0.54633880 0.54633880 1.0 Zn Zn57 1 0.78568694 0.07143769 0.07143769 1.0 Zn Zn58 1 0.38367683 0.20192774 0.38367683 1.0 Zn Zn59 1 0.17705267 0.34914095 0.58712531 1.0 Zn Zn60 1 0.34914095 0.58712531 0.17705267 1.0 Zn Zn61 1 0.07143769 0.07143769 0.78568694 1.0 Zn Zn62 1 0.34914095 0.88668107 0.58712531 1.0 Zn Zn63 1 0.00069185 0.70466605 0.00069185 1.0 Zn Zn64 1 0.60862492 0.79712503 0.79712503 1.0 Zn Zn65 1 0.17705267 0.58712531 0.34914095 1.0 Zn Zn66 1 0.17238632 0.73224369 0.54768500 1.0 Zn Zn67 1 0.17705267 0.88668107 0.58712531 1.0 Zn Zn68 1 0.54768500 0.54768500 0.73224369 1.0 Zn Zn69 1 0.73224369 0.54768500 0.54768500 1.0 Zn Zn70 1 0.70466605 0.29395024 0.00069185 1.0 Zn Zn71 1 0.38367683 0.38367683 0.03071861 1.0 Zn Zn72 1 0.29395024 0.70466605 0.00069185 1.0 Zn Zn73 1 0.73224369 0.54768500 0.17238632 1.0 Zn Zn74 1 0.88668107 0.17705267 0.34914095 1.0 Zn Zn75 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn76 1 0.34914095 0.58712531 0.88668107 1.0 Zn Zn77 1 0.98236768 0.67254411 0.67254411 1.0 Zn Zn78 1 0.17705267 0.58712531 0.88668107 1.0 Zn Zn79 1 0.54768500 0.17238632 0.54768500 1.0 Zn Zn80 1 0.17238632 0.54768500 0.54768500 1.0 Zn Zn81 1 0.17705267 0.88668107 0.34914095 1.0 Zn Zn82 1 0.29395024 0.00069185 0.70466605 1.0 Zn Zn83 1 0.70466605 0.00069185 0.29395024 1.0 Zn Zn84 1 0.00069185 0.00069185 0.70466605 1.0 Zn Zn85 1 0.07143769 0.07143769 0.07143769 1.0 Zn Zn86 1 0.03071861 0.20192774 0.38367683 1.0 Zn Zn87 1 0.88668107 0.34914095 0.58712531 1.0 Zn Zn88 1 0.54768500 0.17238632 0.73224369 1.0 Zn Zn89 1 0.38367683 0.03071861 0.38367683 1.0 Zn Zn90 1 0.34914095 0.17705267 0.58712531 1.0 Zn Zn91 1 0.29395024 0.00069185 0.00069185 1.0 Zn Zn92 1 0.58712531 0.34914095 0.88668107 1.0 Zn Zn93 1 0.00069185 0.00069185 0.29395024 1.0 Zn Zn94 1 0.34914095 0.88668107 0.17705267 1.0 Zn Zn95 1 0.03071861 0.38367683 0.20192774 1.0 Zn Zn96 1 0.00069185 0.70466605 0.29395024 1.0 Zn Zn97 1 0.58712531 0.17705267 0.34914095 1.0 Zn Zn98 1 0.54633880 0.36098360 0.54633880 1.0 Zn Zn99 1 0.38367683 0.03071861 0.20192774 1.0 Zn Zn100 1 0.58712531 0.34914095 0.17705267 1.0 Zn Zn101 1 0.79712503 0.79712503 0.60862492 1.0 Zn Zn102 1 0.92023650 0.23929049 0.92023650 1.0 Zn Zn103 1 0.88668107 0.58712531 0.34914095 1.0 Zn Zn104 1 0.54768500 0.73224369 0.54768500 1.0 Zn Zn105 1 0.54633880 0.54633880 0.36098360 1.0 Zn Zn106 1 0.00069185 0.29395024 0.70466605 1.0 Zn Zn107 1 0.92023650 0.92023650 0.23929049 1.0 Zn Zn108 1 0.79712503 0.60862492 0.79712503 1.0 Zn Zn109 1 0.88668107 0.58712531 0.17705267 1.0 Zn Zn110 1 0.00069185 0.29395024 0.00069185 1.0 Zn Zn111 1 0.58712531 0.17705267 0.88668107 1.0 Zn Zn112 1 0.20192774 0.03071861 0.38367683 1.0 Zn Zn113 1 0.70466605 0.00069185 0.00069185 1.0 Zn Zn114 1 0.67254411 0.98236768 0.67254411 1.0 Zn Zn115 1 0.73224369 0.17238632 0.54768500 1.0 Zn Zn116 1 0.03071861 0.38367683 0.38367683 1.0 Zn Zn117 1 0.92023650 0.92023650 0.92023650 1.0 Zn Zn118 1 0.34914095 0.17705267 0.88668107 1.0 Zn Zn119 1 0.20192774 0.38367683 0.03071861 1.0