# generated using pymatgen data_Tl18Ag59Se39 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.24751583 _cell_length_b 15.24751583 _cell_length_c 14.03380100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl18Ag59Se39 _chemical_formula_sum 'Tl18 Ag59 Se39' _cell_volume 2825.55740195 _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 Tl Tl0 1 0.14133900 0.68463400 0.09306600 1.0 Tl Tl1 1 0.15743200 0.70433600 0.73688000 1.0 Tl Tl2 1 0.14248900 0.68173900 0.41969700 1.0 Tl Tl3 1 0.31536600 0.45670500 0.09306600 1.0 Tl Tl4 1 0.29566400 0.45309600 0.73688000 1.0 Tl Tl5 1 0.31826100 0.46075000 0.41969700 1.0 Tl Tl6 1 0.54329500 0.85866100 0.09306600 1.0 Tl Tl7 1 0.53925000 0.85751100 0.41969700 1.0 Tl Tl8 1 0.54690400 0.84256800 0.73688000 1.0 Tl Tl9 1 0.45162900 0.13494500 0.23456400 1.0 Tl Tl10 1 0.46681200 0.15134800 0.58363700 1.0 Tl Tl11 1 0.45722100 0.14138200 0.93528300 1.0 Tl Tl12 1 0.68331600 0.54837100 0.23456400 1.0 Tl Tl13 1 0.68453600 0.53318800 0.58363700 1.0 Tl Tl14 1 0.68416200 0.54277900 0.93528300 1.0 Tl Tl15 1 0.86505500 0.31668400 0.23456400 1.0 Tl Tl16 1 0.84865200 0.31546400 0.58363700 1.0 Tl Tl17 1 0.85861800 0.31583800 0.93528300 1.0 Ag Ag18 1 0.01102500 0.88977100 0.07715200 1.0 Ag Ag19 1 0.01318600 0.85121500 0.41477800 1.0 Ag Ag20 1 0.01507500 0.83557200 0.75018900 1.0 Ag Ag21 1 0.22161900 0.86822100 0.25884900 1.0 Ag Ag22 1 0.22799700 0.86990300 0.56404000 1.0 Ag Ag23 1 0.21672400 0.85567400 0.91793700 1.0 Ag Ag24 1 0.07884000 0.43181000 0.08610500 1.0 Ag Ag25 1 0.03433900 0.42452900 0.41447700 1.0 Ag Ag26 1 0.02658800 0.45642000 0.74784200 1.0 Ag Ag27 1 0.13177900 0.35339700 0.25884900 1.0 Ag Ag28 1 0.13009700 0.35809500 0.56404000 1.0 Ag Ag29 1 0.14432600 0.36104900 0.91793700 1.0 Ag Ag30 1 0.35296900 0.92116000 0.08610500 1.0 Ag Ag31 1 0.42983200 0.97341200 0.74784200 1.0 Ag Ag32 1 0.39018900 0.96566100 0.41447700 1.0 Ag Ag33 1 0.33333300 0.66666700 0.25158600 1.0 Ag Ag34 1 0.33333300 0.66666700 0.91669100 1.0 Ag Ag35 1 0.11022900 0.12125500 0.07715200 1.0 Ag Ag36 1 0.14878500 0.16197100 0.41477800 1.0 Ag Ag37 1 0.16442800 0.17950300 0.75018900 1.0 Ag Ag38 1 0.11898500 0.00958400 0.24875700 1.0 Ag Ag39 1 0.19159400 0.05129200 0.58771200 1.0 Ag Ag40 1 0.19336600 0.03839900 0.90056900 1.0 Ag Ag41 1 0.34331400 0.21796700 0.07778300 1.0 Ag Ag42 1 0.36805800 0.21691100 0.41749800 1.0 Ag Ag43 1 0.36235200 0.19364700 0.75937200 1.0 Ag Ag44 1 0.42296900 0.35047600 0.24913900 1.0 Ag Ag45 1 0.43571400 0.41100500 0.91629300 1.0 Ag Ag46 1 0.44429400 0.39232600 0.58797900 1.0 Ag Ag47 1 0.56819000 0.64703100 0.08610500 1.0 Ag Ag48 1 0.54358000 0.57016800 0.74784200 1.0 Ag Ag49 1 0.57547100 0.60981100 0.41447700 1.0 Ag Ag50 1 0.64660300 0.77838100 0.25884900 1.0 Ag Ag51 1 0.64190500 0.77200300 0.56404000 1.0 Ag Ag52 1 0.63895100 0.78327600 0.91793700 1.0 Ag Ag53 1 0.83802900 0.98681400 0.41477800 1.0 Ag Ag54 1 0.87874500 0.98897500 0.07715200 1.0 Ag Ag55 1 0.82049700 0.98492500 0.75018900 1.0 Ag Ag56 1 0.89059900 0.88101500 0.24875700 1.0 Ag Ag57 1 0.85969800 0.80840600 0.58771200 1.0 Ag Ag58 1 0.84503400 0.80663400 0.90056900 1.0 Ag Ag59 1 0.66666700 0.33333300 0.40336200 1.0 Ag Ag60 1 0.66666700 0.33333300 0.08316800 1.0 Ag Ag61 1 0.66666700 0.33333300 0.76592300 1.0 Ag Ag62 1 0.64952400 0.07249300 0.24913900 1.0 Ag Ag63 1 0.60767400 0.05196800 0.58797900 1.0 Ag Ag64 1 0.58899500 0.02470900 0.91629300 1.0 Ag Ag65 1 0.87465300 0.65668600 0.07778300 1.0 Ag Ag66 1 0.84885400 0.63194200 0.41749800 1.0 Ag Ag67 1 0.83129400 0.63764800 0.75937200 1.0 Ag Ag68 1 0.92750700 0.57703100 0.24913900 1.0 Ag Ag69 1 0.94803200 0.55570600 0.58797900 1.0 Ag Ag70 1 0.97529100 0.56428600 0.91629300 1.0 Ag Ag71 1 0.78203300 0.12534700 0.07778300 1.0 Ag Ag72 1 0.78308900 0.15114600 0.41749800 1.0 Ag Ag73 1 0.80635300 0.16870600 0.75937200 1.0 Ag Ag74 1 0.99041600 0.10940100 0.24875700 1.0 Ag Ag75 1 0.94870800 0.14030200 0.58771200 1.0 Ag Ag76 1 0.96160100 0.15496600 0.90056900 1.0 Se Se77 1 0.00000000 0.00000000 0.50451800 1.0 Se Se78 1 0.00000000 0.00000000 0.92090000 1.0 Se Se79 1 0.02622300 0.78519000 0.24144800 1.0 Se Se80 1 0.03027500 0.75710800 0.58070500 1.0 Se Se81 1 0.02186200 0.75889900 0.92144300 1.0 Se Se82 1 0.13809100 0.52892600 0.25171100 1.0 Se Se83 1 0.13819300 0.52866100 0.91718100 1.0 Se Se84 1 0.12331800 0.52606100 0.57749300 1.0 Se Se85 1 0.39083500 0.86190900 0.25171100 1.0 Se Se86 1 0.40274300 0.87668200 0.57749300 1.0 Se Se87 1 0.39046800 0.86180700 0.91718100 1.0 Se Se88 1 0.00000000 0.00000000 0.71230700 1.0 Se Se89 1 0.21481000 0.24103300 0.24144800 1.0 Se Se90 1 0.24289200 0.27316700 0.58070500 1.0 Se Se91 1 0.24110100 0.26296300 0.92144300 1.0 Se Se92 1 0.47107400 0.60916500 0.25171100 1.0 Se Se93 1 0.47133900 0.60953200 0.91718100 1.0 Se Se94 1 0.47393900 0.59725700 0.57749300 1.0 Se Se95 1 0.75896700 0.97377700 0.24144800 1.0 Se Se96 1 0.72683300 0.96972500 0.58070500 1.0 Se Se97 1 0.73703700 0.97813800 0.92144300 1.0 Se Se98 1 0.24962900 0.02140900 0.08289300 1.0 Se Se99 1 0.26595300 0.00084700 0.74094100 1.0 Se Se100 1 0.25053700 0.02453600 0.40562500 1.0 Se Se101 1 0.52234300 0.38332200 0.08372300 1.0 Se Se102 1 0.53010000 0.39251700 0.41176100 1.0 Se Se103 1 0.51820400 0.37174500 0.75821400 1.0 Se Se104 1 0.77400000 0.74946300 0.40562500 1.0 Se Se105 1 0.77178000 0.75037100 0.08289300 1.0 Se Se106 1 0.73489400 0.73404700 0.74094100 1.0 Se Se107 1 0.61667800 0.13902100 0.08372300 1.0 Se Se108 1 0.60748300 0.13758300 0.41176100 1.0 Se Se109 1 0.62825500 0.14645900 0.75821400 1.0 Se Se110 1 0.86097900 0.47765700 0.08372300 1.0 Se Se111 1 0.86241700 0.46990000 0.41176100 1.0 Se Se112 1 0.85354100 0.48179600 0.75821400 1.0 Se Se113 1 0.97859100 0.22822000 0.08289300 1.0 Se Se114 1 0.99915300 0.26510600 0.74094100 1.0 Se Se115 1 0.97546400 0.22600000 0.40562500 1.0