# generated using pymatgen data_PW5O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43588200 _cell_length_b 6.71155300 _cell_length_c 36.75418300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PW5O17 _chemical_formula_sum 'P4 W20 O68' _cell_volume 1340.91058209 _cell_formula_units_Z 4 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 P P0 1 0.74507300 0.44455000 0.71946500 1.0 P P1 1 0.75492700 0.55545000 0.21946500 1.0 P P2 1 0.25492700 0.94455000 0.78053500 1.0 P P3 1 0.24507300 0.05545000 0.28053500 1.0 W W4 1 0.24613700 0.75047800 0.69137000 1.0 W W5 1 0.25386300 0.24952200 0.19137000 1.0 W W6 1 0.75386300 0.25047800 0.80863000 1.0 W W7 1 0.74613700 0.74952200 0.30863000 1.0 W W8 1 0.74518600 0.08879800 0.64915300 1.0 W W9 1 0.75481400 0.91120200 0.14915300 1.0 W W10 1 0.25481400 0.58879800 0.85084700 1.0 W W11 1 0.24518600 0.41120200 0.35084700 1.0 W W12 1 0.24538700 0.41966000 0.60546100 1.0 W W13 1 0.25461300 0.58034000 0.10546100 1.0 W W14 1 0.75461300 0.91966000 0.89453900 1.0 W W15 1 0.74538700 0.08034000 0.39453900 1.0 W W16 1 0.74473500 0.75330100 0.56337000 1.0 W W17 1 0.75526500 0.24669900 0.06337000 1.0 W W18 1 0.25526500 0.25330100 0.93663000 1.0 W W19 1 0.24473500 0.74669900 0.43663000 1.0 W W20 1 0.24500800 0.08377900 0.52088100 1.0 W W21 1 0.25499200 0.91622100 0.02088100 1.0 W W22 1 0.75499200 0.58377900 0.97911900 1.0 W W23 1 0.74500800 0.41622100 0.47911900 1.0 O O24 1 0.74611200 0.25600500 0.69569100 1.0 O O25 1 0.75388800 0.74399500 0.19569100 1.0 O O26 1 0.25388800 0.75600500 0.80430900 1.0 O O27 1 0.24611200 0.24399500 0.30430900 1.0 O O28 1 0.74549500 0.91732400 0.60952400 1.0 O O29 1 0.75450500 0.08267600 0.10952400 1.0 O O30 1 0.25450500 0.41732400 0.89047600 1.0 O O31 1 0.24549500 0.58267600 0.39047600 1.0 O O32 1 0.49890300 0.91590700 0.67509500 1.0 O O33 1 0.00109700 0.08409300 0.17509500 1.0 O O34 1 0.50109700 0.41590700 0.82490500 1.0 O O35 1 0.99890300 0.58409300 0.32490500 1.0 O O36 1 0.49018000 0.24769100 0.63094100 1.0 O O37 1 0.00982000 0.75230900 0.13094100 1.0 O O38 1 0.50982000 0.74769100 0.86905900 1.0 O O39 1 0.99018000 0.25230900 0.36905900 1.0 O O40 1 0.99271500 0.25321900 0.63025500 1.0 O O41 1 0.50728500 0.74678100 0.13025500 1.0 O O42 1 0.00728500 0.75321900 0.86974500 1.0 O O43 1 0.49271500 0.24678100 0.36974500 1.0 O O44 1 0.00113300 0.92138300 0.67446800 1.0 O O45 1 0.49886700 0.07861700 0.17446800 1.0 O O46 1 0.99886700 0.42138300 0.82553200 1.0 O O47 1 0.50113300 0.57861700 0.32553200 1.0 O O48 1 0.74468900 0.58637000 0.52156400 1.0 O O49 1 0.75531100 0.41363000 0.02156400 1.0 O O50 1 0.25531100 0.08637000 0.97843600 1.0 O O51 1 0.24468900 0.91363000 0.47843600 1.0 O O52 1 0.99046800 0.92113000 0.54341600 1.0 O O53 1 0.50953200 0.07887000 0.04341600 1.0 O O54 1 0.00953200 0.42113000 0.95658400 1.0 O O55 1 0.49046800 0.57887000 0.45658400 1.0 O O56 1 0.50077200 0.57980900 0.58699200 1.0 O O57 1 0.99922800 0.42019100 0.08699200 1.0 O O58 1 0.49922800 0.07980900 0.91300800 1.0 O O59 1 0.00077200 0.92019100 0.41300800 1.0 O O60 1 0.99820900 0.58553600 0.58628800 1.0 O O61 1 0.50179100 0.41446400 0.08628800 1.0 O O62 1 0.00179100 0.08553600 0.91371200 1.0 O O63 1 0.49820900 0.91446400 0.41371200 1.0 O O64 1 0.49019700 0.91512000 0.54422600 1.0 O O65 1 0.00980300 0.08488000 0.04422600 1.0 O O66 1 0.50980300 0.41512000 0.95577400 1.0 O O67 1 0.99019700 0.58488000 0.45577400 1.0 O O68 1 0.24506700 0.25079300 0.56507800 1.0 O O69 1 0.25493300 0.74920700 0.06507800 1.0 O O70 1 0.75493300 0.75079300 0.93492200 1.0 O O71 1 0.74506700 0.24920700 0.43492200 1.0 O O72 1 0.49961600 0.24683500 0.50033100 1.0 O O73 1 0.00038400 0.75316500 0.00033100 1.0 O O74 1 0.50038400 0.74683500 0.99966900 1.0 O O75 1 0.99961600 0.25316500 0.49966900 1.0 O O76 1 0.24633200 0.58940300 0.65063200 1.0 O O77 1 0.25366800 0.41059700 0.15063200 1.0 O O78 1 0.75366800 0.08940300 0.84936800 1.0 O O79 1 0.74633200 0.91059700 0.34936800 1.0 O O80 1 0.97648800 0.57107200 0.71240300 1.0 O O81 1 0.52351200 0.42892800 0.21240300 1.0 O O82 1 0.02351200 0.07107200 0.78759700 1.0 O O83 1 0.47648800 0.92892800 0.28759700 1.0 O O84 1 0.75183100 0.38048800 0.75980400 1.0 O O85 1 0.74816900 0.61951200 0.25980400 1.0 O O86 1 0.24816900 0.88048800 0.74019600 1.0 O O87 1 0.25183100 0.11951200 0.24019600 1.0 O O88 1 0.50735600 0.56473200 0.71339400 1.0 O O89 1 0.99264400 0.43526800 0.21339400 1.0 O O90 1 0.49264400 0.06473200 0.78660600 1.0 O O91 1 0.00735600 0.93526800 0.28660600 1.0