# generated using pymatgen data_Na3Mo9P(H5O17)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53727081 _cell_length_b 14.46676371 _cell_length_c 14.46676371 _cell_angle_alpha 119.99999674 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Mo9P(H5O17)2 _chemical_formula_sum 'Na6 Mo18 P2 H20 O68' _cell_volume 1909.86013446 _cell_formula_units_Z 2 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 Na Na0 1 0.74141429 0.62404303 0.81929628 1.0 Na Na1 1 0.74141429 0.19525324 0.37595697 1.0 Na Na2 1 0.24141429 0.37595697 0.18070372 1.0 Na Na3 1 0.74141429 0.18070372 0.80474676 1.0 Na Na4 1 0.24141429 0.80474676 0.62404303 1.0 Na Na5 1 0.24141429 0.81929628 0.19525324 1.0 Mo Mo6 1 0.56950310 0.76163105 0.26980998 1.0 Mo Mo7 1 0.56950310 0.50817893 0.23836895 1.0 Mo Mo8 1 0.06950310 0.23836895 0.73019002 1.0 Mo Mo9 1 0.56950310 0.73019002 0.49182107 1.0 Mo Mo10 1 0.06950310 0.49182107 0.76163105 1.0 Mo Mo11 1 0.06950310 0.26980998 0.50817893 1.0 Mo Mo12 1 0.83679287 0.94532059 0.41058736 1.0 Mo Mo13 1 0.83679287 0.46526677 0.05467941 1.0 Mo Mo14 1 0.33679287 0.05467941 0.58941264 1.0 Mo Mo15 1 0.83679287 0.58941264 0.53473323 1.0 Mo Mo16 1 0.33679287 0.53473323 0.94532059 1.0 Mo Mo17 1 0.33679287 0.41058736 0.46526677 1.0 Mo Mo18 1 0.88497563 0.72656372 0.11502640 1.0 Mo Mo19 1 0.88497563 0.38846267 0.27343628 1.0 Mo Mo20 1 0.38497563 0.27343628 0.88497360 1.0 Mo Mo21 1 0.88497563 0.88497360 0.61153733 1.0 Mo Mo22 1 0.38497563 0.61153733 0.72656372 1.0 Mo Mo23 1 0.38497563 0.11502640 0.38846267 1.0 P P24 1 0.85440129 0.66666700 0.33333300 1.0 P P25 1 0.35440129 0.33333300 0.66666700 1.0 H H26 1 0.93354446 0.91889394 0.93548068 1.0 H H27 1 0.93354446 0.01658673 0.08110606 1.0 H H28 1 0.43354446 0.08110606 0.06451932 1.0 H H29 1 0.93354446 0.06451932 0.98341327 1.0 H H30 1 0.43354446 0.98341327 0.91889394 1.0 H H31 1 0.43354446 0.93548068 0.01658673 1.0 H H32 1 0.60736798 0.74184911 0.98456290 1.0 H H33 1 0.60736798 0.24271378 0.25815089 1.0 H H34 1 0.10736798 0.25815089 0.01543710 1.0 H H35 1 0.60736798 0.01543710 0.75728622 1.0 H H36 1 0.10736798 0.75728622 0.74184911 1.0 H H37 1 0.10736798 0.98456290 0.24271378 1.0 H H38 1 0.65214201 0.98608454 0.18489345 1.0 H H39 1 0.65214201 0.19880892 0.01391546 1.0 H H40 1 0.15214201 0.01391546 0.81510655 1.0 H H41 1 0.65214201 0.81510655 0.80119108 1.0 H H42 1 0.15214201 0.80119108 0.98608454 1.0 H H43 1 0.15214201 0.18489345 0.19880892 1.0 H H44 1 0.92934864 -0.00000000 -0.00000000 1.0 H H45 1 0.42934864 -0.00000000 -0.00000000 1.0 O O46 1 0.82019993 0.57819211 0.64724491 1.0 O O47 1 0.82019993 0.06905280 0.42180789 1.0 O O48 1 0.32019993 0.42180789 0.35275509 1.0 O O49 1 0.82019993 0.35275509 0.93094720 1.0 O O50 1 0.32019993 0.93094720 0.57819211 1.0 O O51 1 0.32019993 0.64724491 0.06905280 1.0 O O52 1 0.52367246 0.38043875 0.46549338 1.0 O O53 1 0.52367246 0.08505463 0.61956125 1.0 O O54 1 0.02367246 0.61956125 0.53450662 1.0 O O55 1 0.52367246 0.53450662 0.91494537 1.0 O O56 1 0.02367246 0.91494537 0.38043875 1.0 O O57 1 0.02367246 0.46549338 0.08505463 1.0 O O58 1 0.67692877 0.88791181 0.37608514 1.0 O O59 1 0.67692877 0.48817333 0.11208819 1.0 O O60 1 0.17692877 0.11208819 0.62391486 1.0 O O61 1 0.67692877 0.62391486 0.51182667 1.0 O O62 1 0.17692877 0.51182667 0.88791181 1.0 O O63 1 0.17692877 0.37608514 0.48817333 1.0 O O64 1 0.55114239 0.61235502 0.72901593 1.0 O O65 1 0.55114239 0.11666091 0.38764498 1.0 O O66 1 0.05114239 0.38764498 0.27098407 1.0 O O67 1 0.55114239 0.27098407 0.88333909 1.0 O O68 1 0.05114239 0.88333909 0.61235502 1.0 O O69 1 0.05114239 0.72901593 0.11666091 1.0 O O70 1 0.00183549 0.41245821 0.62480112 1.0 O O71 1 0.00183549 0.21234292 0.58754179 1.0 O O72 1 0.50183549 0.58754179 0.37519888 1.0 O O73 1 0.00183549 0.37519888 0.78765708 1.0 O O74 1 0.50183549 0.78765708 0.41245821 1.0 O O75 1 0.50183549 0.62480112 0.21234292 1.0 O O76 1 0.89920038 0.78165949 0.41366867 1.0 O O77 1 0.89920038 0.63200918 0.21834051 1.0 O O78 1 0.39920038 0.21834051 0.58633133 1.0 O O79 1 0.89920038 0.58633133 0.36799082 1.0 O O80 1 0.39920038 0.36799082 0.78165949 1.0 O O81 1 0.39920038 0.41366867 0.63200918 1.0 O O82 1 0.84353140 0.77350707 0.02984998 1.0 O O83 1 0.84353140 0.25634291 0.22649293 1.0 O O84 1 0.34353140 0.22649293 0.97015002 1.0 O O85 1 0.84353140 0.97015002 0.74365709 1.0 O O86 1 0.34353140 0.74365709 0.77350707 1.0 O O87 1 0.34353140 0.02984998 0.25634291 1.0 O O88 1 0.88072268 0.86010877 0.25677733 1.0 O O89 1 0.88072268 0.39666856 0.13989123 1.0 O O90 1 0.38072268 0.13989123 0.74322267 1.0 O O91 1 0.88072268 0.74322267 0.60333144 1.0 O O92 1 0.38072268 0.60333144 0.86010877 1.0 O O93 1 0.38072268 0.25677733 0.39666856 1.0 O O94 1 0.69613319 0.73309477 0.17191173 1.0 O O95 1 0.69613319 0.43881696 0.26690523 1.0 O O96 1 0.19613319 0.26690523 0.82808827 1.0 O O97 1 0.69613319 0.82808827 0.56118304 1.0 O O98 1 0.19613319 0.56118304 0.73309477 1.0 O O99 1 0.19613319 0.17191173 0.43881696 1.0 O O100 1 0.95527776 0.58909938 0.82663839 1.0 O O101 1 0.95527776 0.23753901 0.41090062 1.0 O O102 1 0.45527776 0.41090062 0.17336161 1.0 O O103 1 0.95527776 0.17336161 0.76246099 1.0 O O104 1 0.45527776 0.76246099 0.58909938 1.0 O O105 1 0.45527776 0.82663839 0.23753901 1.0 O O106 1 0.85254094 0.98169442 0.55532472 1.0 O O107 1 0.85254094 0.57363030 0.01830558 1.0 O O108 1 0.35254094 0.01830558 0.44467528 1.0 O O109 1 0.85254094 0.44467528 0.42636970 1.0 O O110 1 0.35254094 0.42636970 0.98169442 1.0 O O111 1 0.35254094 0.55532472 0.57363030 1.0 O O112 1 0.70537295 0.66666700 0.33333300 1.0 O O113 1 0.20537295 0.33333300 0.66666700 1.0