# generated using pymatgen data_Al16As9O76 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.70429214 _cell_length_b 15.70429214 _cell_length_c 15.70429214 _cell_angle_alpha 93.28601596 _cell_angle_beta 93.28601596 _cell_angle_gamma 152.29576631 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al16As9O76 _chemical_formula_sum 'Al16 As9 O76' _cell_volume 1748.25058454 _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 Al Al0 1 0.31367300 0.29823600 0.89370200 1.0 Al Al1 1 0.40453400 0.41997200 0.10629800 1.0 Al Al2 1 0.58002800 0.68632700 0.98456300 1.0 Al Al3 1 0.70176400 0.59546600 0.01543700 1.0 Al Al4 1 0.52628900 0.56993700 0.63592300 1.0 Al Al5 1 0.93401500 0.89036600 0.36407700 1.0 Al Al6 1 0.10963400 0.47371100 0.04364900 1.0 Al Al7 1 0.43006300 0.06598500 0.95635100 1.0 Al Al8 1 0.51543800 0.38806800 0.56206200 1.0 Al Al9 1 0.82600600 0.95337700 0.43793800 1.0 Al Al10 1 0.04662300 0.48456200 0.87263000 1.0 Al Al11 1 0.61193200 0.17399400 0.12737000 1.0 Al Al12 1 0.17067100 0.33892000 0.61079200 1.0 Al Al13 1 0.72812800 0.55987900 0.38920800 1.0 Al Al14 1 0.44012100 0.82932900 0.16824800 1.0 Al Al15 1 0.66108000 0.27187200 0.83175200 1.0 As As16 1 0.00000000 0.00000000 0.00000000 1.0 As As17 1 0.34514300 0.49021700 0.79499300 1.0 As As18 1 0.69522500 0.55015000 0.20500700 1.0 As As19 1 0.44985000 0.65485700 0.14507500 1.0 As As20 1 0.50978300 0.30477500 0.85492500 1.0 As As21 1 0.10593800 0.07315000 0.58402700 1.0 As As22 1 0.48912300 0.52191100 0.41597300 1.0 As As23 1 0.47808900 0.89406200 0.96721200 1.0 As As24 1 0.92685000 0.51087700 0.03278800 1.0 O O25 1 0.82468900 0.91849700 0.97948700 1.0 O O26 1 0.93901000 0.84520300 0.02051300 1.0 O O27 1 0.15479700 0.17531100 0.09380700 1.0 O O28 1 0.08150300 0.06099000 0.90619300 1.0 O O29 1 0.45439100 0.63996100 0.89069500 1.0 O O30 1 0.74926600 0.56369700 0.10930500 1.0 O O31 1 0.43630300 0.54560900 0.18556900 1.0 O O32 1 0.36003900 0.25073400 0.81443100 1.0 O O33 1 0.18432700 0.40152600 0.71763800 1.0 O O34 1 0.68388800 0.46669000 0.28236200 1.0 O O35 1 0.53331000 0.81567300 0.21719900 1.0 O O36 1 0.59847400 0.31611200 0.78280100 1.0 O O37 1 0.52808500 0.62800300 0.74156900 1.0 O O38 1 0.88643300 0.78651500 0.25843100 1.0 O O39 1 0.21348500 0.47191500 0.09991800 1.0 O O40 1 0.37199700 0.11356700 0.90008200 1.0 O O41 1 0.22640700 0.29676700 0.81110700 1.0 O O42 1 0.48566000 0.41530000 0.18889300 1.0 O O43 1 0.58470000 0.77359300 0.07036000 1.0 O O44 1 0.70323300 0.51434000 0.92964000 1.0 O O45 1 0.27115800 0.15022600 0.56167400 1.0 O O46 1 0.58855200 0.70948400 0.43832600 1.0 O O47 1 0.29051600 0.72884200 0.87906800 1.0 O O48 1 0.84977400 0.41144800 0.12093200 1.0 O O49 1 0.97560200 0.91137100 0.64681900 1.0 O O50 1 0.26455300 0.32878300 0.35318100 1.0 O O51 1 0.67121700 0.02439800 0.93577000 1.0 O O52 1 0.08862900 0.73544700 0.06423000 1.0 O O53 1 0.49016100 0.48064300 0.51770400 1.0 O O54 1 0.96293900 0.97245800 0.48229600 1.0 O O55 1 0.02754200 0.50983900 0.99048200 1.0 O O56 1 0.51935700 0.03706100 0.00951800 1.0 O O57 1 0.22484400 0.27333900 0.62533400 1.0 O O58 1 0.64800400 0.59951000 0.37466600 1.0 O O59 1 0.40049000 0.77515600 0.04849500 1.0 O O60 1 0.72666100 0.35199600 0.95150500 1.0 O O61 1 0.35163400 0.42899400 0.99570800 1.0 O O62 1 0.43328600 0.35592600 0.00429200 1.0 O O63 1 0.64407400 0.64836600 0.07736000 1.0 O O64 1 0.57100600 0.56671400 0.92264000 1.0 O O65 1 0.58751500 0.51469700 0.66550700 1.0 O O66 1 0.84919000 0.92200800 0.33449300 1.0 O O67 1 0.07799200 0.41248500 0.92718100 1.0 O O68 1 0.48530300 0.15081000 0.07281900 1.0 O O69 1 0.40822500 0.56578200 0.59894600 1.0 O O70 1 0.96683600 0.80927800 0.40105400 1.0 O O71 1 0.19072200 0.59177500 0.15755700 1.0 O O72 1 0.43421800 0.03316400 0.84244300 1.0 O O73 1 0.76864100 0.82108800 0.62659900 1.0 O O74 1 0.19448900 0.14204300 0.37340100 1.0 O O75 1 0.85795700 0.23135900 0.05244700 1.0 O O76 1 0.17891200 0.80551100 0.94755300 1.0 O O77 1 0.59969700 0.35290500 0.59488700 1.0 O O78 1 0.75801800 0.00481000 0.40511300 1.0 O O79 1 0.99519000 0.40030300 0.75320800 1.0 O O80 1 0.64709500 0.24198200 0.24679200 1.0 O O81 1 0.04697300 0.22371100 0.48760900 1.0 O O82 1 0.73610200 0.55936400 0.51239100 1.0 O O83 1 0.44063600 0.95302700 0.17673800 1.0 O O84 1 0.77628900 0.26389800 0.82326200 1.0 O O85 1 0.91523200 0.09936700 0.54841600 1.0 O O86 1 0.55095200 0.36681600 0.45158400 1.0 O O87 1 0.63318400 0.08476800 0.18413600 1.0 O O88 1 0.90063300 0.44904800 0.81586400 1.0 O O89 1 0.04161800 0.39220400 0.56222600 1.0 O O90 1 0.82997800 0.47939100 0.43777400 1.0 O O91 1 0.52060900 0.95838200 0.35058700 1.0 O O92 1 0.60779600 0.17002200 0.64941300 1.0 O O93 1 0.22104300 0.77559400 0.53867300 1.0 O O94 1 0.23692100 0.68237000 0.46132700 1.0 O O95 1 0.31763000 0.77895700 0.55455100 1.0 O O96 1 0.22440600 0.76307900 0.44544900 1.0 O O97 1 0.87418000 0.25437400 0.56189500 1.0 O O98 1 0.69247900 0.31228600 0.43810500 1.0 O O99 1 0.68771400 0.12582000 0.38019300 1.0 O O100 1 0.74562600 0.30752100 0.61980700 1.0