# generated using pymatgen data_Ba8U3(HgS6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 27.26753251 _cell_length_b 27.26753251 _cell_length_c 4.22733600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000124 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8U3(HgS6)3 _chemical_formula_sum 'Ba24 U9 Hg9 S54' _cell_volume 2722.00597128 _cell_formula_units_Z 3 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 Ba Ba0 1 0.70311600 0.03627200 0.50000000 1.0 Ba Ba1 1 0.96372800 0.66684400 0.50000000 1.0 Ba Ba2 1 0.33315600 0.29688400 0.50000000 1.0 Ba Ba3 1 0.87555700 0.18307400 0.50000000 1.0 Ba Ba4 1 0.81692600 0.69248300 0.50000000 1.0 Ba Ba5 1 0.30751700 0.12444300 0.50000000 1.0 Ba Ba6 1 0.59278300 0.22162400 0.50000000 1.0 Ba Ba7 1 0.77837600 0.37115900 0.50000000 1.0 Ba Ba8 1 0.62884100 0.40721700 0.50000000 1.0 Ba Ba9 1 0.64680400 0.84173300 0.50000000 1.0 Ba Ba10 1 0.15826700 0.80507100 0.50000000 1.0 Ba Ba11 1 0.19492900 0.35319600 0.50000000 1.0 Ba Ba12 1 0.44598200 0.74653100 0.50000000 1.0 Ba Ba13 1 0.25346900 0.69945100 0.50000000 1.0 Ba Ba14 1 0.30054900 0.55401800 0.50000000 1.0 Ba Ba15 1 0.33340700 0.96488800 0.50000000 1.0 Ba Ba16 1 0.03511200 0.36852000 0.50000000 1.0 Ba Ba17 1 0.63148000 0.66659300 0.50000000 1.0 Ba Ba18 1 0.98188000 0.08823400 0.50000000 1.0 Ba Ba19 1 0.91176600 0.89364500 0.50000000 1.0 Ba Ba20 1 0.10635500 0.01812000 0.50000000 1.0 Ba Ba21 1 0.52691700 0.02534500 0.50000000 1.0 Ba Ba22 1 0.97465500 0.50157200 0.50000000 1.0 Ba Ba23 1 0.49842800 0.47308300 0.50000000 1.0 U U24 1 0.73236000 0.20012500 0.00000000 1.0 U U25 1 0.79987500 0.53223500 0.00000000 1.0 U U26 1 0.46776500 0.26764000 0.00000000 1.0 U U27 1 0.81104400 0.96976500 0.00000000 1.0 U U28 1 0.03023500 0.84128000 0.00000000 1.0 U U29 1 0.15872000 0.18895600 0.00000000 1.0 U U30 1 0.38961700 0.85899900 0.00000000 1.0 U U31 1 0.14100100 0.53061900 0.00000000 1.0 U U32 1 0.46938100 0.61038300 0.00000000 1.0 Hg Hg33 1 0.44423300 0.10322100 0.00000000 1.0 Hg Hg34 1 0.89677900 0.34101200 0.00000000 1.0 Hg Hg35 1 0.65898800 0.55576700 0.00000000 1.0 Hg Hg36 1 0.56221100 0.90605500 0.00000000 1.0 Hg Hg37 1 0.09394500 0.65615600 0.00000000 1.0 Hg Hg38 1 0.34384400 0.43778900 0.00000000 1.0 Hg Hg39 1 0.03560400 0.24194200 0.00000000 1.0 Hg Hg40 1 0.75805800 0.79366200 0.00000000 1.0 Hg Hg41 1 0.20633800 0.96439600 0.00000000 1.0 S S42 1 0.69674400 0.27211600 0.00000000 1.0 S S43 1 0.72788400 0.42462800 0.00000000 1.0 S S44 1 0.57537200 0.30325600 0.00000000 1.0 S S45 1 0.77486300 0.13238900 0.00000000 1.0 S S46 1 0.86761100 0.64247400 0.00000000 1.0 S S47 1 0.35752600 0.22513700 0.00000000 1.0 S S48 1 0.80028200 0.25647400 0.50000000 1.0 S S49 1 0.74352600 0.54380800 0.50000000 1.0 S S50 1 0.45619200 0.19971800 0.50000000 1.0 S S51 1 0.66615300 0.14399600 0.50000000 1.0 S S52 1 0.85600400 0.52215700 0.50000000 1.0 S S53 1 0.47784300 0.33384700 0.50000000 1.0 S S54 1 0.70564400 0.94589700 0.00000000 1.0 S S55 1 0.05410300 0.75974800 0.00000000 1.0 S S56 1 0.24025200 0.29435600 0.00000000 1.0 S S57 1 0.91329300 0.98657600 0.00000000 1.0 S S58 1 0.01342400 0.92671700 0.00000000 1.0 S S59 1 0.07328300 0.08670700 0.00000000 1.0 S S60 1 0.78812400 0.89799200 0.50000000 1.0 S S61 1 0.10200800 0.89013200 0.50000000 1.0 S S62 1 0.10986800 0.21187600 0.50000000 1.0 S S63 1 0.83291800 0.03987600 0.50000000 1.0 S S64 1 0.96012400 0.79304300 0.50000000 1.0 S S65 1 0.20695700 0.16708200 0.50000000 1.0 S S66 1 0.42171600 0.96647000 0.00000000 1.0 S S67 1 0.03353000 0.45524600 0.00000000 1.0 S S68 1 0.54475400 0.57828400 0.00000000 1.0 S S69 1 0.35919300 0.75369200 0.00000000 1.0 S S70 1 0.24630800 0.60550100 0.00000000 1.0 S S71 1 0.39449900 0.64080700 0.00000000 1.0 S S72 1 0.32044400 0.84103600 0.50000000 1.0 S S73 1 0.15896400 0.47940700 0.50000000 1.0 S S74 1 0.52059300 0.67955600 0.50000000 1.0 S S75 1 0.45966400 0.87785300 0.50000000 1.0 S S76 1 0.12214700 0.58181100 0.50000000 1.0 S S77 1 0.41818900 0.54033600 0.50000000 1.0 S S78 1 0.53868200 0.12200100 0.00000000 1.0 S S79 1 0.87799900 0.41668200 0.00000000 1.0 S S80 1 0.58331800 0.46131800 0.00000000 1.0 S S81 1 0.34417000 0.05977300 0.00000000 1.0 S S82 1 0.94022700 0.28439600 0.00000000 1.0 S S83 1 0.71560400 0.65583000 0.00000000 1.0 S S84 1 0.60167500 0.00546300 0.00000000 1.0 S S85 1 0.99453700 0.59621200 0.00000000 1.0 S S86 1 0.40378800 0.39832500 0.00000000 1.0 S S87 1 0.54613600 0.81254700 0.00000000 1.0 S S88 1 0.18745300 0.73358900 0.00000000 1.0 S S89 1 0.26641100 0.45386400 0.00000000 1.0 S S90 1 0.10372100 0.33958300 0.00000000 1.0 S S91 1 0.66041700 0.76413800 0.00000000 1.0 S S92 1 0.23586200 0.89627900 0.00000000 1.0 S S93 1 0.95048800 0.15441300 0.00000000 1.0 S S94 1 0.84558700 0.79607600 0.00000000 1.0 S S95 1 0.20392400 0.04951200 0.00000000 1.0