# generated using pymatgen data_Y21B7(C7I9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.88528300 _cell_length_b 15.65390096 _cell_length_c 18.54094784 _cell_angle_alpha 82.53393903 _cell_angle_beta 85.12216874 _cell_angle_gamma 83.09603726 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y21B7(C7I9)2 _chemical_formula_sum 'Y42 B14 C28 I36' _cell_volume 3102.08419095 _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 Y Y0 1 0.08064700 0.63122500 0.20671900 1.0 Y Y1 1 0.16704900 0.31576700 0.55558900 1.0 Y Y2 1 0.90938600 0.23079100 0.65160400 1.0 Y Y3 1 0.10965500 0.42468700 0.35522700 1.0 Y Y4 1 0.16050000 0.20637700 0.76343300 1.0 Y Y5 1 0.86402100 0.94120400 0.37328400 1.0 Y Y6 1 0.12090400 0.98264900 0.93661600 1.0 Y Y7 1 0.87909600 0.01735100 0.06338400 1.0 Y Y8 1 0.85502100 0.82917000 0.57735000 1.0 Y Y9 1 0.11588300 0.87380300 0.14842700 1.0 Y Y10 1 0.14341400 0.60373500 0.84584000 1.0 Y Y11 1 0.88411700 0.12619700 0.85157300 1.0 Y Y12 1 0.83295100 0.68423300 0.44441100 1.0 Y Y13 1 0.87927800 0.28564000 0.35697100 1.0 Y Y14 1 0.12072200 0.71436000 0.64302900 1.0 Y Y15 1 0.84537800 0.64403900 0.08907900 1.0 Y Y16 1 0.89034500 0.57531300 0.64477300 1.0 Y Y17 1 0.11151000 0.91344300 0.48830000 1.0 Y Y18 1 0.13597900 0.05879600 0.62671600 1.0 Y Y19 1 0.15462200 0.35596100 0.91092100 1.0 Y Y20 1 0.88806600 0.14774600 0.20993300 1.0 Y Y21 1 0.10983200 0.49527700 0.06215700 1.0 Y Y22 1 0.83001200 0.53983500 0.30159100 1.0 Y Y23 1 0.09061400 0.76920900 0.34839600 1.0 Y Y24 1 0.11539400 0.57145800 0.49639300 1.0 Y Y25 1 0.89016800 0.50472300 0.93784300 1.0 Y Y26 1 0.12150600 0.27446300 0.22009300 1.0 Y Y27 1 0.14001400 0.11959500 0.08412300 1.0 Y Y28 1 0.86482900 0.97890600 0.71063900 1.0 Y Y29 1 0.13517100 0.02109400 0.28936100 1.0 Y Y30 1 0.89544200 0.25995700 0.00326000 1.0 Y Y31 1 0.11193400 0.85225400 0.79006700 1.0 Y Y32 1 0.83950000 0.79362300 0.23656700 1.0 Y Y33 1 0.87849400 0.72553700 0.77990700 1.0 Y Y34 1 0.88849000 0.08655700 0.51170000 1.0 Y Y35 1 0.16998800 0.46016500 0.69840900 1.0 Y Y36 1 0.85998600 0.88040500 0.91587700 1.0 Y Y37 1 0.88460600 0.42854200 0.50360700 1.0 Y Y38 1 0.10455800 0.74004300 0.99674000 1.0 Y Y39 1 0.14497900 0.17083000 0.42265000 1.0 Y Y40 1 0.91935300 0.36877500 0.79328100 1.0 Y Y41 1 0.85658600 0.39626500 0.15416000 1.0 B B42 1 0.98976300 0.60505100 0.36171400 1.0 B B43 1 0.02003100 0.88983400 0.63527400 1.0 B B44 1 0.99940600 0.53442200 0.77755400 1.0 B B45 1 0.01023700 0.39494900 0.63828600 1.0 B B46 1 0.03339700 0.03283800 0.77506200 1.0 B B47 1 0.05042200 0.17464400 0.92315700 1.0 B B48 1 0.99556700 0.25496500 0.50335900 1.0 B B49 1 0.94957800 0.82535600 0.07684300 1.0 B B50 1 0.96660300 0.96716200 0.22493800 1.0 B B51 1 0.97996900 0.11016600 0.36472600 1.0 B B52 1 0.96371100 0.67611000 0.92356600 1.0 B B53 1 0.00443300 0.74503500 0.49664100 1.0 B B54 1 0.00059400 0.46557800 0.22244600 1.0 B B55 1 0.03628900 0.32389000 0.07643400 1.0 C C56 1 0.99905600 0.60972300 0.98497300 1.0 C C57 1 0.04447900 0.46795500 0.83695500 1.0 C C58 1 0.96703400 0.53179700 0.41605800 1.0 C C59 1 0.02916700 0.25097700 0.87009900 1.0 C C60 1 0.98620700 0.97177000 0.58899000 1.0 C C61 1 0.01131400 0.11537600 0.72821800 1.0 C C62 1 0.00094400 0.39027700 0.01502700 1.0 C C63 1 0.02493100 0.17255200 0.30398700 1.0 C C64 1 0.98335400 0.97441200 0.83731500 1.0 C C65 1 0.01664600 0.02558800 0.16268500 1.0 C C66 1 0.02433500 0.32131200 0.44239300 1.0 C C67 1 0.01379300 0.02823000 0.41101000 1.0 C C68 1 0.03296600 0.46820300 0.58394200 1.0 C C69 1 0.95745500 0.82444400 0.45090300 1.0 C C70 1 0.94119500 0.67805500 0.30999800 1.0 C C71 1 0.02799000 0.61283600 0.72975100 1.0 C C72 1 0.98868600 0.88462400 0.27178200 1.0 C C73 1 0.00262600 0.24586000 0.12403900 1.0 C C74 1 0.99737400 0.75414000 0.87596100 1.0 C C75 1 0.04254500 0.17555600 0.54909700 1.0 C C76 1 0.97506900 0.82744800 0.69601300 1.0 C C77 1 0.97083300 0.74902300 0.12990100 1.0 C C78 1 0.95552100 0.53204500 0.16304500 1.0 C C79 1 0.00718800 0.11000300 0.98122200 1.0 C C80 1 0.05880500 0.32194500 0.69000200 1.0 C C81 1 0.97201000 0.38716400 0.27024900 1.0 C C82 1 0.99281200 0.88999700 0.01877800 1.0 C C83 1 0.97566500 0.67868800 0.55760700 1.0 I I84 1 0.33252300 0.03244300 0.82314300 1.0 I I85 1 0.70348600 0.26713700 0.51214100 1.0 I I86 1 0.35966700 0.16847100 0.62357200 1.0 I I87 1 0.63481100 0.67242600 0.21743300 1.0 I I88 1 0.64033300 0.83152900 0.37642800 1.0 I I89 1 0.28275100 0.58678100 0.33321400 1.0 I I90 1 0.33764800 0.49046800 0.94578700 1.0 I I91 1 0.34041000 0.12633200 0.20687100 1.0 I I92 1 0.35122300 0.59891800 0.71780300 1.0 I I93 1 0.35613600 0.45001200 0.55796900 1.0 I I94 1 0.64386400 0.54998800 0.44203100 1.0 I I95 1 0.67255600 0.24113100 0.11763600 1.0 I I96 1 0.69639200 0.57948800 0.81759700 1.0 I I97 1 0.66747700 0.96755700 0.17685700 1.0 I I98 1 0.64877700 0.40108200 0.28219700 1.0 I I99 1 0.30360800 0.42051200 0.18240300 1.0 I I100 1 0.69250700 0.31383600 0.89411200 1.0 I I101 1 0.71724900 0.41321900 0.66678600 1.0 I I102 1 0.31894600 0.85482100 0.26437600 1.0 I I103 1 0.65959000 0.87366800 0.79312900 1.0 I I104 1 0.66235200 0.50953200 0.05421300 1.0 I I105 1 0.65081400 0.70591500 0.59903600 1.0 I I106 1 0.67132100 0.04499900 0.95303100 1.0 I I107 1 0.68834000 0.12653400 0.34667800 1.0 I I108 1 0.29651400 0.73286300 0.48785900 1.0 I I109 1 0.32867900 0.95500100 0.04696900 1.0 I I110 1 0.34355200 0.01287800 0.43273100 1.0 I I111 1 0.32744400 0.75886900 0.88236400 1.0 I I112 1 0.65644800 0.98712200 0.56726900 1.0 I I113 1 0.31166000 0.87346600 0.65332200 1.0 I I114 1 0.68105400 0.14517900 0.73562400 1.0 I I115 1 0.65548300 0.77635200 0.00331700 1.0 I I116 1 0.36518900 0.32757400 0.78256700 1.0 I I117 1 0.34451700 0.22364800 0.99668300 1.0 I I118 1 0.30749300 0.68616400 0.10588800 1.0 I I119 1 0.34918600 0.29408500 0.40096400 1.0