# generated using pymatgen data_Ba17U11O42 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.95910600 _cell_length_b 10.90258209 _cell_length_c 14.23666565 _cell_angle_alpha 96.84494522 _cell_angle_beta 90.68344852 _cell_angle_gamma 113.45791901 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba17U11O42 _chemical_formula_sum 'Ba17 U11 O42' _cell_volume 1263.88456576 _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 Ba Ba0 1 0.89705500 0.78634600 0.42872300 1.0 Ba Ba1 1 0.39302100 0.78951900 0.42833700 1.0 Ba Ba2 1 0.82299900 0.64401400 0.71108600 1.0 Ba Ba3 1 0.75248000 0.49624400 0.99995700 1.0 Ba Ba4 1 0.46159400 0.92541100 0.14630500 1.0 Ba Ba5 1 0.10294500 0.21365400 0.57127700 1.0 Ba Ba6 1 0.24752000 0.50375600 0.00004300 1.0 Ba Ba7 1 0.50000000 0.50000000 0.50000000 1.0 Ba Ba8 1 0.64339700 0.78581000 0.92786400 1.0 Ba Ba9 1 0.17700100 0.35598600 0.28891400 1.0 Ba Ba10 1 0.32090000 0.63994800 0.71614100 1.0 Ba Ba11 1 0.96515900 0.93296800 0.14464700 1.0 Ba Ba12 1 0.67910000 0.36005200 0.28385900 1.0 Ba Ba13 1 0.35660300 0.21419000 0.07213600 1.0 Ba Ba14 1 0.60697900 0.21048100 0.57166300 1.0 Ba Ba15 1 0.03484100 0.06703200 0.85535300 1.0 Ba Ba16 1 0.53840600 0.07458900 0.85369500 1.0 U U17 1 0.00000000 0.50000000 0.50000000 1.0 U U18 1 0.07101400 0.64272800 0.21420400 1.0 U U19 1 0.13857200 0.77957500 0.92734500 1.0 U U20 1 0.78554800 0.07255800 0.35723000 1.0 U U21 1 0.86142800 0.22042500 0.07265500 1.0 U U22 1 0.57610700 0.64963200 0.21577500 1.0 U U23 1 0.92898600 0.35727200 0.78579600 1.0 U U24 1 0.28220100 0.06451800 0.36090100 1.0 U U25 1 0.42389300 0.35036800 0.78422500 1.0 U U26 1 0.71779900 0.93548200 0.63909900 1.0 U U27 1 0.21445200 0.92744200 0.64277000 1.0 O O28 1 0.83895500 0.66493000 0.24613400 1.0 O O29 1 0.06757700 0.70951300 0.58873800 1.0 O O30 1 0.21528900 0.86477000 0.26870800 1.0 O O31 1 0.45596600 0.91803100 0.61143000 1.0 O O32 1 0.77053800 0.47994300 0.46316700 1.0 O O33 1 0.90550900 0.75348500 0.88809900 1.0 O O34 1 0.91221800 0.40284400 0.63634200 1.0 O O35 1 0.05291900 0.67887200 0.06365200 1.0 O O36 1 0.08778200 0.59715600 0.36365800 1.0 O O37 1 0.22897600 0.88134400 0.79046600 1.0 O O38 1 0.22946200 0.52005700 0.53683300 1.0 O O39 1 0.37111400 0.80206800 0.96626000 1.0 O O40 1 0.64284200 0.85153400 0.30969800 1.0 O O41 1 0.92122900 0.42338700 0.16202200 1.0 O O42 1 0.66766500 0.75437300 0.55253300 1.0 O O43 1 0.93242300 0.29048700 0.41126200 1.0 O O44 1 0.07877100 0.57661300 0.83797800 1.0 O O45 1 0.31135100 0.63357000 0.18521400 1.0 O O46 1 0.77102400 0.11865600 0.20953400 1.0 O O47 1 0.48553200 0.54399700 0.32726300 1.0 O O48 1 0.79795400 0.03732000 0.50986800 1.0 O O49 1 0.63043500 0.83389800 0.75525200 1.0 O O50 1 0.66139800 0.75722400 0.10484700 1.0 O O51 1 0.94708100 0.32112800 0.93634800 1.0 O O52 1 0.09449100 0.24651500 0.11190100 1.0 O O53 1 0.33233500 0.24562700 0.44746700 1.0 O O54 1 0.47097900 0.53097300 0.87386400 1.0 O O55 1 0.78471100 0.13523000 0.73129200 1.0 O O56 1 0.52902100 0.46902700 0.12613600 1.0 O O57 1 0.82103500 0.03683000 0.98924500 1.0 O O58 1 0.01992400 0.04651700 0.33197900 1.0 O O59 1 0.16104500 0.33507000 0.75386600 1.0 O O60 1 0.20204600 0.96268000 0.49013200 1.0 O O61 1 0.33860200 0.24277600 0.89515300 1.0 O O62 1 0.36956500 0.16610200 0.24474800 1.0 O O63 1 0.51446800 0.45600300 0.67273700 1.0 O O64 1 0.54403400 0.08196900 0.38857000 1.0 O O65 1 0.68864900 0.36643000 0.81478600 1.0 O O66 1 0.98007600 0.95348300 0.66802100 1.0 O O67 1 0.17896500 0.96317000 0.01075500 1.0 O O68 1 0.35715800 0.14846600 0.69030200 1.0 O O69 1 0.62888600 0.19793200 0.03374000 1.0