# generated using pymatgen data_Pu31Pt20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.27432316 _cell_length_b 11.27432360 _cell_length_c 20.28386327 _cell_angle_alpha 106.13572103 _cell_angle_beta 106.13572169 _cell_angle_gamma 90.00000096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu31Pt20 _chemical_formula_sum 'Pu62 Pt40' _cell_volume 2370.80405226 _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 Pu Pu0 1 0.16634755 0.66634755 0.33269510 1.0 Pu Pu1 1 0.43689284 0.12501768 0.42485542 1.0 Pu Pu2 1 0.98796258 0.29983774 0.42485542 1.0 Pu Pu3 1 0.56310716 0.87498232 0.57514458 1.0 Pu Pu4 1 0.66005833 0.83994167 1.00000000 1.0 Pu Pu5 1 0.05807090 0.35621238 0.27408179 1.0 Pu Pu6 1 0.35621238 0.21601088 0.27408179 1.0 Pu Pu7 1 0.92223907 0.42223907 0.84447814 1.0 Pu Pu8 1 0.37498232 0.06310716 0.57514458 1.0 Pu Pu9 1 0.84957383 0.11779828 0.10052695 1.0 Pu Pu10 1 0.65042617 0.51727133 0.89947305 1.0 Pu Pu11 1 0.98272867 0.84957383 0.10052695 1.0 Pu Pu12 1 0.79983774 0.48796258 0.42485542 1.0 Pu Pu13 1 0.51203742 0.37498232 0.57514458 1.0 Pu Pu14 1 0.87498232 0.01203742 0.57514458 1.0 Pu Pu15 1 0.55807090 0.41786940 0.27408179 1.0 Pu Pu16 1 0.61779828 0.34957383 0.10052695 1.0 Pu Pu17 1 0.24904688 0.38220172 0.89947305 1.0 Pu Pu18 1 0.94192910 0.64378762 0.72591821 1.0 Pu Pu19 1 0.51727133 0.24904688 0.89947305 1.0 Pu Pu20 1 0.21601088 0.91786940 0.27408179 1.0 Pu Pu21 1 0.71601088 0.85621238 0.27408179 1.0 Pu Pu22 1 0.78398912 0.08213060 0.72591821 1.0 Pu Pu23 1 0.12501768 0.98796258 0.42485542 1.0 Pu Pu24 1 0.01203742 0.70016226 0.57514458 1.0 Pu Pu25 1 0.41786940 0.71601088 0.27408179 1.0 Pu Pu26 1 0.74904688 0.01727133 0.89947305 1.0 Pu Pu27 1 0.48796258 0.62501768 0.42485542 1.0 Pu Pu28 1 0.20016226 0.51203742 0.57514458 1.0 Pu Pu29 1 0.64378762 0.78398912 0.72591821 1.0 Pu Pu30 1 0.85621238 0.55807090 0.27408179 1.0 Pu Pu31 1 0.33365245 0.83365245 0.66730490 1.0 Pu Pu32 1 0.29983774 0.43689284 0.42485542 1.0 Pu Pu33 1 0.48272867 0.75095312 0.10052695 1.0 Pu Pu34 1 0.38220172 0.65042617 0.89947305 1.0 Pu Pu35 1 0.25000000 0.75000000 0.50000000 1.0 Pu Pu36 1 0.44192910 0.58213060 0.72591821 1.0 Pu Pu37 1 0.75095312 0.61779828 0.10052695 1.0 Pu Pu38 1 0.15042617 0.88220172 0.89947305 1.0 Pu Pu39 1 0.42223907 0.92223907 0.84447814 1.0 Pu Pu40 1 0.57776093 0.07776093 0.15552186 1.0 Pu Pu41 1 0.01727133 0.15042617 0.89947305 1.0 Pu Pu42 1 0.58213060 0.28398912 0.72591821 1.0 Pu Pu43 1 0.14378762 0.44192910 0.72591821 1.0 Pu Pu44 1 0.66634755 0.16634755 0.33269510 1.0 Pu Pu45 1 0.91786940 0.05807090 0.27408179 1.0 Pu Pu46 1 0.75000000 0.25000000 0.50000000 1.0 Pu Pu47 1 0.28398912 0.14378762 0.72591821 1.0 Pu Pu48 1 0.11779828 0.25095312 0.10052695 1.0 Pu Pu49 1 0.93689284 0.79983774 0.42485542 1.0 Pu Pu50 1 0.25095312 0.98272867 0.10052695 1.0 Pu Pu51 1 0.88220172 0.74904688 0.89947305 1.0 Pu Pu52 1 0.83994167 0.33994167 1.00000000 1.0 Pu Pu53 1 0.83365245 0.33365245 0.66730490 1.0 Pu Pu54 1 0.34957383 0.48272867 0.10052695 1.0 Pu Pu55 1 0.16005833 0.66005833 0.00000000 1.0 Pu Pu56 1 0.08213060 0.94192910 0.72591821 1.0 Pu Pu57 1 0.07776093 0.57776093 0.15552186 1.0 Pu Pu58 1 0.06310716 0.20016226 0.57514458 1.0 Pu Pu59 1 0.33994167 0.16005833 0.00000000 1.0 Pu Pu60 1 0.62501768 0.93689284 0.42485542 1.0 Pu Pu61 1 0.70016226 0.56310716 0.57514458 1.0 Pt Pt62 1 0.40372839 0.90372839 0.00000000 1.0 Pt Pt63 1 0.39241906 0.25398643 0.14640550 1.0 Pt Pt64 1 0.17714680 0.17714680 0.35429361 1.0 Pt Pt65 1 0.60758094 0.74601357 0.85359450 1.0 Pt Pt66 1 0.96715979 0.78439484 0.25155463 1.0 Pt Pt67 1 0.89241906 0.39241906 0.14640550 1.0 Pt Pt68 1 0.59627161 0.09627161 1.00000000 1.0 Pt Pt69 1 0.46715979 0.96715979 0.25155463 1.0 Pt Pt70 1 0.28439484 0.46715979 0.25155463 1.0 Pt Pt71 1 0.03284021 0.21560516 0.74844537 1.0 Pt Pt72 1 0.67714680 0.67714680 0.35429361 1.0 Pt Pt73 1 0.10758094 0.60758094 0.85359450 1.0 Pt Pt74 1 0.71560516 0.53284021 0.74844537 1.0 Pt Pt75 1 0.32285320 0.32285320 0.64570639 1.0 Pt Pt76 1 0.09627161 0.40372839 0.00000000 1.0 Pt Pt77 1 0.89924610 0.89924610 0.79849220 1.0 Pt Pt78 1 0.75398643 0.89241906 0.14640550 1.0 Pt Pt79 1 0.44451185 0.63394135 0.57845321 1.0 Pt Pt80 1 0.60075390 0.60075390 0.20150780 1.0 Pt Pt81 1 0.25398643 0.75398643 0.14640550 1.0 Pt Pt82 1 0.55548815 0.36605865 0.42154679 1.0 Pt Pt83 1 0.36605865 0.86605865 0.42154679 1.0 Pt Pt84 1 0.39924610 0.39924610 0.79849220 1.0 Pt Pt85 1 0.94451185 0.44451185 0.57845321 1.0 Pt Pt86 1 0.10075390 0.10075390 0.20150780 1.0 Pt Pt87 1 0.24601357 0.10758094 0.85359450 1.0 Pt Pt88 1 0.90372839 0.59627161 1.00000000 1.0 Pt Pt89 1 0.75000000 0.75000000 0.50000000 1.0 Pt Pt90 1 0.50000000 0.50000000 0.00000000 1.0 Pt Pt91 1 0.13394135 0.94451185 0.57845321 1.0 Pt Pt92 1 0.74601357 0.24601357 0.85359450 1.0 Pt Pt93 1 0.53284021 0.03284021 0.74844537 1.0 Pt Pt94 1 0.21560516 0.71560516 0.74844537 1.0 Pt Pt95 1 0.78439484 0.28439484 0.25155463 1.0 Pt Pt96 1 0.86605865 0.05548815 0.42154679 1.0 Pt Pt97 1 0.00000000 0.00000000 0.00000000 1.0 Pt Pt98 1 0.63394135 0.13394135 0.57845321 1.0 Pt Pt99 1 0.05548815 0.55548815 0.42154679 1.0 Pt Pt100 1 0.82285320 0.82285320 0.64570639 1.0 Pt Pt101 1 0.25000000 0.25000000 0.50000000 1.0