# generated using pymatgen data_AgSO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95022600 _cell_length_b 10.68654511 _cell_length_c 14.96241835 _cell_angle_alpha 89.71389077 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSO4 _chemical_formula_sum 'Ag16 S16 O64' _cell_volume 1271.19792850 _cell_formula_units_Z 16 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 0.47762900 0.67154000 0.11137600 1.0 Ag Ag1 1 0.97762900 0.82846000 0.88862400 1.0 Ag Ag2 1 0.52237100 0.32846000 0.88862400 1.0 Ag Ag3 1 0.02237100 0.17154000 0.11137600 1.0 Ag Ag4 1 0.00665200 0.66101300 0.10768500 1.0 Ag Ag5 1 0.50665200 0.83898700 0.89231500 1.0 Ag Ag6 1 0.99334800 0.33898700 0.89231500 1.0 Ag Ag7 1 0.49334800 0.16101300 0.10768500 1.0 Ag Ag8 1 0.51430400 0.41478700 0.39243500 1.0 Ag Ag9 1 0.01430400 0.08521300 0.60756500 1.0 Ag Ag10 1 0.48569600 0.58521300 0.60756500 1.0 Ag Ag11 1 0.98569600 0.91478700 0.39243500 1.0 Ag Ag12 1 0.98966500 0.41401600 0.38942500 1.0 Ag Ag13 1 0.48966500 0.08598400 0.61057500 1.0 Ag Ag14 1 0.01033500 0.58598400 0.61057500 1.0 Ag Ag15 1 0.51033500 0.91401600 0.38942500 1.0 S S16 1 0.75335700 0.66278200 0.29949300 1.0 S S17 1 0.25335700 0.83721800 0.70050700 1.0 S S18 1 0.24664300 0.33721800 0.70050700 1.0 S S19 1 0.74664300 0.16278200 0.29949300 1.0 S S20 1 0.25727800 0.41701800 0.20123500 1.0 S S21 1 0.75727800 0.08298200 0.79876500 1.0 S S22 1 0.74272200 0.58298200 0.79876500 1.0 S S23 1 0.24272200 0.91701800 0.20123500 1.0 S S24 1 0.75434600 0.40912100 0.07576500 1.0 S S25 1 0.25434600 0.09087900 0.92423500 1.0 S S26 1 0.24565400 0.59087900 0.92423500 1.0 S S27 1 0.74565400 0.90912100 0.07576500 1.0 S S28 1 0.25038500 0.66292500 0.42446300 1.0 S S29 1 0.75038500 0.83707500 0.57553700 1.0 S S30 1 0.74961500 0.33707500 0.57553700 1.0 S S31 1 0.24961500 0.16292500 0.42446300 1.0 O O32 1 0.75588500 0.55511600 0.36435400 1.0 O O33 1 0.25588500 0.94488400 0.63564600 1.0 O O34 1 0.24411500 0.44488400 0.63564600 1.0 O O35 1 0.74411500 0.05511600 0.36435400 1.0 O O36 1 0.75414400 0.78416900 0.35050100 1.0 O O37 1 0.25414400 0.71583100 0.64949900 1.0 O O38 1 0.24585600 0.21583100 0.64949900 1.0 O O39 1 0.74585600 0.28416900 0.35050100 1.0 O O40 1 0.59513800 0.65392500 0.24804500 1.0 O O41 1 0.09513800 0.84607500 0.75195500 1.0 O O42 1 0.40486200 0.34607500 0.75195500 1.0 O O43 1 0.90486200 0.15392500 0.24804500 1.0 O O44 1 0.90972200 0.65412100 0.24582200 1.0 O O45 1 0.40972200 0.84587900 0.75417800 1.0 O O46 1 0.09027800 0.34587900 0.75417800 1.0 O O47 1 0.59027800 0.15412100 0.24582200 1.0 O O48 1 0.26382400 0.31293200 0.13503900 1.0 O O49 1 0.76382400 0.18706800 0.86496100 1.0 O O50 1 0.73617600 0.68706800 0.86496100 1.0 O O51 1 0.23617600 0.81293200 0.13503900 1.0 O O52 1 0.09847100 0.40356300 0.25198200 1.0 O O53 1 0.59847100 0.09643700 0.74801800 1.0 O O54 1 0.90152900 0.59643700 0.74801800 1.0 O O55 1 0.40152900 0.90356300 0.25198200 1.0 O O56 1 0.25303500 0.54136900 0.15196300 1.0 O O57 1 0.75303500 0.95863100 0.84803700 1.0 O O58 1 0.74696500 0.45863100 0.84803700 1.0 O O59 1 0.24696500 0.04136900 0.15196300 1.0 O O60 1 0.41317000 0.41040700 0.25510600 1.0 O O61 1 0.91316900 0.08959300 0.74489400 1.0 O O62 1 0.58683100 0.58959300 0.74489400 1.0 O O63 1 0.08683100 0.91040700 0.25510600 1.0 O O64 1 0.75550500 0.38118900 0.17053300 1.0 O O65 1 0.25550500 0.11881100 0.82946700 1.0 O O66 1 0.24449500 0.61881100 0.82946700 1.0 O O67 1 0.74449500 0.88118900 0.17053300 1.0 O O68 1 0.75115200 0.54458900 0.05462200 1.0 O O69 1 0.25115200 0.95541100 0.94537800 1.0 O O70 1 0.24884800 0.45541100 0.94537800 1.0 O O71 1 0.74884800 0.04458900 0.05462200 1.0 O O72 1 0.91337400 0.35019800 0.03541900 1.0 O O73 1 0.41337400 0.14980200 0.96458100 1.0 O O74 1 0.08662600 0.64980200 0.96458100 1.0 O O75 1 0.58662600 0.85019800 0.03541900 1.0 O O76 1 0.60324100 0.34554100 0.03341900 1.0 O O77 1 0.10324100 0.15445900 0.96658100 1.0 O O78 1 0.39675900 0.65445900 0.96658100 1.0 O O79 1 0.89675900 0.84554100 0.03341900 1.0 O O80 1 0.24995700 0.63366000 0.33018200 1.0 O O81 1 0.74995700 0.86634000 0.66981800 1.0 O O82 1 0.75004300 0.36634000 0.66981800 1.0 O O83 1 0.25004300 0.13366000 0.33018200 1.0 O O84 1 0.09607600 0.60465900 0.46716700 1.0 O O85 1 0.59607600 0.89534100 0.53283300 1.0 O O86 1 0.90392400 0.39534100 0.53283300 1.0 O O87 1 0.40392400 0.10465900 0.46716700 1.0 O O88 1 0.40701800 0.60257400 0.46558100 1.0 O O89 1 0.90701800 0.89742600 0.53441900 1.0 O O90 1 0.59298200 0.39742600 0.53441900 1.0 O O91 1 0.09298200 0.10257400 0.46558100 1.0 O O92 1 0.25290300 0.79998200 0.44278100 1.0 O O93 1 0.75290300 0.70001800 0.55721900 1.0 O O94 1 0.74709700 0.20001800 0.55721900 1.0 O O95 1 0.24709700 0.29998200 0.44278100 1.0