# generated using pymatgen data_Ag13(BiI4)14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79762000 _cell_length_b 9.02745759 _cell_length_c 51.75631317 _cell_angle_alpha 93.75761381 _cell_angle_beta 90.00464842 _cell_angle_gamma 118.92536088 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag13(BiI4)14 _chemical_formula_sum 'Ag13 Bi14 I56' _cell_volume 3587.60020104 _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 Ag Ag0 1 0.00000000 0.50000000 0.00000000 1.0 Ag Ag1 1 0.78758000 0.07270500 0.85831500 1.0 Ag Ag2 1 0.28369700 0.07138300 0.85799300 1.0 Ag Ag3 1 0.57120100 0.64304100 0.71452600 1.0 Ag Ag4 1 0.07188500 0.64319100 0.71455200 1.0 Ag Ag5 1 0.64251500 0.78533700 0.42851900 1.0 Ag Ag6 1 0.14292000 0.78548900 0.42850800 1.0 Ag Ag7 1 0.85708000 0.21451100 0.57149200 1.0 Ag Ag8 1 0.35748500 0.21466300 0.57148100 1.0 Ag Ag9 1 0.42879900 0.35695900 0.28547400 1.0 Ag Ag10 1 0.92811500 0.35680900 0.28544800 1.0 Ag Ag11 1 0.71630300 0.92861700 0.14200700 1.0 Ag Ag12 1 0.21242000 0.92729500 0.14168500 1.0 Bi Bi13 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi14 1 0.14691900 0.29000900 0.93025200 1.0 Bi Bi15 1 0.28367400 0.56911300 0.85761700 1.0 Bi Bi16 1 0.57071400 0.14193500 0.71444700 1.0 Bi Bi17 1 0.71413800 0.42795300 0.64301100 1.0 Bi Bi18 1 0.14296800 0.28593000 0.42851400 1.0 Bi Bi19 1 0.28586200 0.57204700 0.35698900 1.0 Bi Bi20 1 0.42818400 0.85557700 0.78610800 1.0 Bi Bi21 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi22 1 0.42928600 0.85806500 0.28555300 1.0 Bi Bi23 1 0.85703200 0.71407000 0.57148600 1.0 Bi Bi24 1 0.85308100 0.70999100 0.06974800 1.0 Bi Bi25 1 0.57181600 0.14442300 0.21389200 1.0 Bi Bi26 1 0.71632600 0.43088700 0.14238300 1.0 I I27 1 0.29563200 0.61596700 0.96429600 1.0 I I28 1 0.81252700 0.12403600 0.96226700 1.0 I I29 1 0.46035200 0.92274600 0.88846500 1.0 I I30 1 0.31864400 0.14083700 0.96367700 1.0 I I31 1 0.96817000 0.43776600 0.89292700 1.0 I I32 1 0.59149800 0.18338800 0.82304500 1.0 I I33 1 0.46980300 0.44126400 0.89410000 1.0 I I34 1 0.10271400 0.70437600 0.82004700 1.0 I I35 1 0.74701000 0.49420200 0.74556400 1.0 I I36 1 0.84298300 0.64951800 0.96910600 1.0 I I37 1 0.97880300 0.95637400 0.89113300 1.0 I I38 1 0.60271900 0.70504300 0.82014100 1.0 I I39 1 0.25485100 0.01030300 0.75061700 1.0 I I40 1 0.87862600 0.75730100 0.67960200 1.0 I I41 1 0.75503700 0.00960400 0.75080400 1.0 I I42 1 0.11170900 0.22118100 0.82544200 1.0 I I43 1 0.38834400 0.27657200 0.67739100 1.0 I I44 1 0.03268400 0.06559300 0.60275100 1.0 I I45 1 0.88791700 0.27590500 0.67751700 1.0 I I46 1 0.26352100 0.52683500 0.74870800 1.0 I I47 1 0.54085100 0.58163800 0.60796500 1.0 I I48 1 0.16458500 0.32919000 0.53684600 1.0 I I49 1 0.04038400 0.58090400 0.60809100 1.0 I I50 1 0.39609100 0.79188100 0.68282600 1.0 I I51 1 0.67411300 0.84782000 0.53463500 1.0 I I52 1 0.31822500 0.63668500 0.45999300 1.0 I I53 1 0.17342400 0.84699700 0.53476000 1.0 I I54 1 0.54942200 0.09880700 0.60592300 1.0 I I55 1 0.82657600 0.15300300 0.46524000 1.0 I I56 1 0.45057800 0.90119300 0.39407700 1.0 I I57 1 0.32588700 0.15218000 0.46536500 1.0 I I58 1 0.68177500 0.36331500 0.54000700 1.0 I I59 1 0.95961600 0.41909600 0.39190900 1.0 I I60 1 0.60390900 0.20811900 0.31717400 1.0 I I61 1 0.83541500 0.67081000 0.46315400 1.0 I I62 1 0.45914900 0.41836200 0.39203500 1.0 I I63 1 0.11208300 0.72409500 0.32248300 1.0 I I64 1 0.73647900 0.47316500 0.25129200 1.0 I I65 1 0.61165600 0.72342800 0.32260900 1.0 I I66 1 0.96731600 0.93440700 0.39724900 1.0 I I67 1 0.24496300 0.99039600 0.24919600 1.0 I I68 1 0.88829100 0.77881900 0.17455800 1.0 I I69 1 0.12137400 0.24269900 0.32039800 1.0 I I70 1 0.74514900 0.98969700 0.24938300 1.0 I I71 1 0.02119700 0.04362600 0.10886700 1.0 I I72 1 0.39728100 0.29495700 0.17985900 1.0 I I73 1 0.89728600 0.29562400 0.17995300 1.0 I I74 1 0.25299000 0.50579800 0.25443600 1.0 I I75 1 0.53019700 0.55873600 0.10590000 1.0 I I76 1 0.15701700 0.35048200 0.03089400 1.0 I I77 1 0.03183000 0.56223400 0.10707300 1.0 I I78 1 0.40850200 0.81661200 0.17695500 1.0 I I79 1 0.68135600 0.85916300 0.03632300 1.0 I I80 1 0.18747300 0.87596400 0.03773300 1.0 I I81 1 0.53964800 0.07725400 0.11153500 1.0 I I82 1 0.70436800 0.38403300 0.03570400 1.0