# generated using pymatgen data_Ba(H9O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90879100 _cell_length_b 9.24812400 _cell_length_c 15.01700393 _cell_angle_alpha 61.01098369 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(H9O5)2 _chemical_formula_sum 'Ba4 H72 O40' _cell_volume 1325.19246289 _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 Ba Ba0 1 0.72252700 0.75181900 0.72291500 1.0 Ba Ba1 1 0.77747300 0.75181900 0.22291500 1.0 Ba Ba2 1 0.27747300 0.24818100 0.27708500 1.0 Ba Ba3 1 0.22252700 0.24818100 0.77708500 1.0 H H4 1 0.03058800 0.54069400 0.07908500 1.0 H H5 1 0.46941200 0.54069400 0.57908500 1.0 H H6 1 0.96941200 0.45930600 0.92091500 1.0 H H7 1 0.53058800 0.45930600 0.42091500 1.0 H H8 1 0.13956400 0.67439700 0.91877200 1.0 H H9 1 0.36043600 0.67439700 0.41877200 1.0 H H10 1 0.86043600 0.32560300 0.08122800 1.0 H H11 1 0.63956400 0.32560300 0.58122800 1.0 H H12 1 0.62720300 0.27826000 0.93290400 1.0 H H13 1 0.87279700 0.27826000 0.43290400 1.0 H H14 1 0.37279700 0.72174000 0.06709600 1.0 H H15 1 0.12720300 0.72174000 0.56709600 1.0 H H16 1 0.51311900 0.28490400 0.09065200 1.0 H H17 1 0.98688100 0.28490400 0.59065200 1.0 H H18 1 0.48688100 0.71509600 0.90934800 1.0 H H19 1 0.01311900 0.71509600 0.40934800 1.0 H H20 1 0.91530200 0.29038300 0.94780100 1.0 H H21 1 0.58469800 0.29038300 0.44780100 1.0 H H22 1 0.08469800 0.70961700 0.05219900 1.0 H H23 1 0.41530200 0.70961700 0.55219900 1.0 H H24 1 0.52467800 0.79233000 0.88200600 1.0 H H25 1 0.97532200 0.79233000 0.38200600 1.0 H H26 1 0.47532200 0.20767000 0.11799400 1.0 H H27 1 0.02467800 0.20767000 0.61799400 1.0 H H28 1 0.42944200 0.96092700 0.89689600 1.0 H H29 1 0.07055800 0.96092700 0.39689600 1.0 H H30 1 0.57055800 0.03907300 0.10310400 1.0 H H31 1 0.92944200 0.03907300 0.60310400 1.0 H H32 1 0.26822800 0.67649800 0.87049800 1.0 H H33 1 0.23177200 0.67649800 0.37049800 1.0 H H34 1 0.73177200 0.32350200 0.12950200 1.0 H H35 1 0.76822800 0.32350200 0.62950200 1.0 H H36 1 0.63143000 0.00860500 0.87070800 1.0 H H37 1 0.86857000 0.00860500 0.37070800 1.0 H H38 1 0.36857000 0.99139500 0.12929200 1.0 H H39 1 0.13143000 0.99139500 0.62929200 1.0 H H40 1 0.76386100 0.72292000 0.96348600 1.0 H H41 1 0.73613900 0.72292000 0.46348600 1.0 H H42 1 0.23613900 0.27708000 0.03651400 1.0 H H43 1 0.26386100 0.27708000 0.53651400 1.0 H H44 1 0.07118000 0.66799100 0.58684200 1.0 H H45 1 0.42882000 0.66799100 0.08684200 1.0 H H46 1 0.92882000 0.33200900 0.41315800 1.0 H H47 1 0.57118000 0.33200900 0.91315800 1.0 H H48 1 0.70553000 0.50273700 0.62170200 1.0 H H49 1 0.79447000 0.50273700 0.12170200 1.0 H H50 1 0.29447000 0.49726300 0.37829800 1.0 H H51 1 0.20553000 0.49726300 0.87829800 1.0 H H52 1 0.49809600 0.90559000 0.37433700 1.0 H H53 1 0.00190400 0.90559000 0.87433700 1.0 H H54 1 0.50190400 0.09441000 0.62566300 1.0 H H55 1 0.99809600 0.09441000 0.12566300 1.0 H H56 1 0.29121000 0.81481000 0.60997400 1.0 H H57 1 0.20879000 0.81481000 0.10997400 1.0 H H58 1 0.70879000 0.18519000 0.39002600 1.0 H H59 1 0.79121000 0.18519000 0.89002600 1.0 H H60 1 0.31580900 0.77052500 0.66386800 1.0 H H61 1 0.18419100 0.77052500 0.16386800 1.0 H H62 1 0.68419100 0.22947500 0.33613200 1.0 H H63 1 0.81580900 0.22947500 0.83613200 1.0 H H64 1 0.88550400 0.04027800 0.40651600 1.0 H H65 1 0.61449600 0.04027800 0.90651600 1.0 H H66 1 0.11449600 0.95972200 0.59348400 1.0 H H67 1 0.38550400 0.95972200 0.09348400 1.0 H H68 1 0.59382300 0.09373000 0.70082900 1.0 H H69 1 0.90617700 0.09373000 0.20082900 1.0 H H70 1 0.40617700 0.90627000 0.29917100 1.0 H H71 1 0.09382300 0.90627000 0.79917100 1.0 H H72 1 0.30180000 0.10110000 0.62241100 1.0 H H73 1 0.19820000 0.10110000 0.12241100 1.0 H H74 1 0.69820000 0.89890000 0.37758900 1.0 H H75 1 0.80180000 0.89890000 0.87758900 1.0 O O76 1 0.17876300 0.69488000 0.85395300 1.0 O O77 1 0.32123700 0.69488000 0.35395300 1.0 O O78 1 0.82123700 0.30512000 0.14604700 1.0 O O79 1 0.67876300 0.30512000 0.64604700 1.0 O O80 1 0.11520700 0.04340600 0.40705500 1.0 O O81 1 0.38479300 0.04340600 0.90705500 1.0 O O82 1 0.88479300 0.95659400 0.59294500 1.0 O O83 1 0.61520700 0.95659400 0.09294500 1.0 O O84 1 0.46040100 0.47061100 0.73250900 1.0 O O85 1 0.03959900 0.47061100 0.23250900 1.0 O O86 1 0.53959900 0.52938900 0.26749100 1.0 O O87 1 0.96040100 0.52938900 0.76749100 1.0 O O88 1 0.26804800 0.40511500 0.90311700 1.0 O O89 1 0.23195200 0.40511500 0.40311700 1.0 O O90 1 0.73195200 0.59488500 0.09688300 1.0 O O91 1 0.76804800 0.59488500 0.59688300 1.0 O O92 1 0.37000700 0.49287500 0.91518400 1.0 O O93 1 0.12999300 0.49287500 0.41518400 1.0 O O94 1 0.62999300 0.50712500 0.08481600 1.0 O O95 1 0.87000700 0.50712500 0.58481600 1.0 O O96 1 0.79007200 0.78562900 0.89082400 1.0 O O97 1 0.70992800 0.78562900 0.39082400 1.0 O O98 1 0.20992800 0.21437100 0.10917600 1.0 O O99 1 0.29007200 0.21437100 0.60917600 1.0 O O100 1 0.45221100 0.64905100 0.52075300 1.0 O O101 1 0.04778900 0.64905100 0.02075300 1.0 O O102 1 0.54778900 0.35094900 0.47924700 1.0 O O103 1 0.95221100 0.35094900 0.97924700 1.0 O O104 1 0.48716500 0.58258800 0.75708000 1.0 O O105 1 0.01283500 0.58258800 0.25708000 1.0 O O106 1 0.51283500 0.41741200 0.24292000 1.0 O O107 1 0.98716500 0.41741200 0.74292000 1.0 O O108 1 0.53679100 0.01917000 0.69253000 1.0 O O109 1 0.96320900 0.01917000 0.19253000 1.0 O O110 1 0.46320900 0.98083000 0.30747000 1.0 O O111 1 0.03679100 0.98083000 0.80747000 1.0 O O112 1 0.75728900 0.02201800 0.57702500 1.0 O O113 1 0.74271100 0.02201800 0.07702500 1.0 O O114 1 0.24271100 0.97798200 0.42297500 1.0 O O115 1 0.25728900 0.97798200 0.92297500 1.0