# generated using pymatgen data_NaB6NO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.46692595 _cell_length_b 12.46692595 _cell_length_c 12.46692595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaB6NO10 _chemical_formula_sum 'Na8 B48 N8 O80' _cell_volume 1937.66252386 _cell_formula_units_Z 8 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 0.35550843 0.64449157 0.14449157 1.0 Na Na1 1 0.64449157 0.14449157 0.35550843 1.0 Na Na2 1 0.14449157 0.35550843 0.64449157 1.0 Na Na3 1 0.85550843 0.85550843 0.85550843 1.0 Na Na4 1 0.64449157 0.35550843 0.85550843 1.0 Na Na5 1 0.35550843 0.85550843 0.64449157 1.0 Na Na6 1 0.85550843 0.64449157 0.35550843 1.0 Na Na7 1 0.14449157 0.14449157 0.14449157 1.0 B B8 1 0.30351133 0.67091837 0.85893424 1.0 B B9 1 0.69648867 0.17091837 0.64106576 1.0 B B10 1 0.19648867 0.32908163 0.35893424 1.0 B B11 1 0.80351133 0.82908163 0.14106576 1.0 B B12 1 0.85893424 0.30351133 0.67091837 1.0 B B13 1 0.64106576 0.69648867 0.17091837 1.0 B B14 1 0.35893424 0.19648867 0.32908163 1.0 B B15 1 0.14106576 0.80351133 0.82908163 1.0 B B16 1 0.67091837 0.85893424 0.30351133 1.0 B B17 1 0.17091837 0.64106576 0.69648867 1.0 B B18 1 0.32908163 0.35893424 0.19648867 1.0 B B19 1 0.82908163 0.14106576 0.80351133 1.0 B B20 1 0.69648867 0.32908163 0.14106576 1.0 B B21 1 0.30351133 0.82908163 0.35893424 1.0 B B22 1 0.80351133 0.67091837 0.64106576 1.0 B B23 1 0.19648867 0.17091837 0.85893424 1.0 B B24 1 0.14106576 0.69648867 0.32908163 1.0 B B25 1 0.35893424 0.30351133 0.82908163 1.0 B B26 1 0.64106576 0.80351133 0.67091837 1.0 B B27 1 0.85893424 0.19648867 0.17091837 1.0 B B28 1 0.32908163 0.14106576 0.69648867 1.0 B B29 1 0.82908163 0.35893424 0.30351133 1.0 B B30 1 0.67091837 0.64106576 0.80351133 1.0 B B31 1 0.17091837 0.85893424 0.19648867 1.0 B B32 1 0.22250128 0.78002804 0.00822288 1.0 B B33 1 0.77749872 0.28002804 0.49177712 1.0 B B34 1 0.27749872 0.21997196 0.50822288 1.0 B B35 1 0.72250128 0.71997196 0.99177712 1.0 B B36 1 0.00822288 0.22250128 0.78002804 1.0 B B37 1 0.49177712 0.77749872 0.28002804 1.0 B B38 1 0.50822288 0.27749872 0.21997196 1.0 B B39 1 0.99177712 0.72250128 0.71997196 1.0 B B40 1 0.78002804 0.00822288 0.22250128 1.0 B B41 1 0.28002804 0.49177712 0.77749872 1.0 B B42 1 0.21997196 0.50822288 0.27749872 1.0 B B43 1 0.71997196 0.99177712 0.72250128 1.0 B B44 1 0.77749872 0.21997196 0.99177712 1.0 B B45 1 0.22250128 0.71997196 0.50822288 1.0 B B46 1 0.72250128 0.78002804 0.49177712 1.0 B B47 1 0.27749872 0.28002804 0.00822288 1.0 B B48 1 0.99177712 0.77749872 0.21997196 1.0 B B49 1 0.50822288 0.22250128 0.71997196 1.0 B B50 1 0.49177712 0.72250128 0.78002804 1.0 B B51 1 0.00822288 0.27749872 0.28002804 1.0 B B52 1 0.21997196 0.99177712 0.77749872 1.0 B B53 1 0.71997196 0.50822288 0.22250128 1.0 B B54 1 0.78002804 0.49177712 0.72250128 1.0 B B55 1 0.28002804 0.00822288 0.27749872 1.0 N N56 1 0.00000000 0.50000000 0.00000000 1.0 N N57 1 0.00000000 -0.00000000 0.50000000 1.0 N N58 1 0.50000000 0.50000000 0.50000000 1.0 N N59 1 0.50000000 -0.00000000 0.00000000 1.0 N N60 1 0.50000000 0.50000000 0.00000000 1.0 N N61 1 0.50000000 -0.00000000 0.50000000 1.0 N N62 1 0.00000000 0.50000000 0.50000000 1.0 N N63 1 0.00000000 -0.00000000 0.00000000 1.0 O O64 1 0.19585310 0.69585310 0.80414690 1.0 O O65 1 0.80414690 0.19585310 0.69585310 1.0 O O66 1 0.30414690 0.30414690 0.30414690 1.0 O O67 1 0.69585310 0.80414690 0.19585310 1.0 O O68 1 0.80414690 0.30414690 0.19585310 1.0 O O69 1 0.19585310 0.80414690 0.30414690 1.0 O O70 1 0.69585310 0.69585310 0.69585310 1.0 O O71 1 0.30414690 0.19585310 0.80414690 1.0 O O72 1 0.32498963 0.55713404 0.85255355 1.0 O O73 1 0.67501037 0.05713404 0.64744645 1.0 O O74 1 0.17501037 0.44286596 0.35255355 1.0 O O75 1 0.82498963 0.94286596 0.14744645 1.0 O O76 1 0.85255355 0.32498963 0.55713404 1.0 O O77 1 0.64744645 0.67501037 0.05713404 1.0 O O78 1 0.35255355 0.17501037 0.44286596 1.0 O O79 1 0.14744645 0.82498963 0.94286596 1.0 O O80 1 0.55713404 0.85255355 0.32498963 1.0 O O81 1 0.05713404 0.64744645 0.67501037 1.0 O O82 1 0.44286596 0.35255355 0.17501037 1.0 O O83 1 0.94286596 0.14744645 0.82498963 1.0 O O84 1 0.67501037 0.44286596 0.14744645 1.0 O O85 1 0.32498963 0.94286596 0.35255355 1.0 O O86 1 0.82498963 0.55713404 0.64744645 1.0 O O87 1 0.17501037 0.05713404 0.85255355 1.0 O O88 1 0.14744645 0.67501037 0.44286596 1.0 O O89 1 0.35255355 0.32498963 0.94286596 1.0 O O90 1 0.64744645 0.82498963 0.55713404 1.0 O O91 1 0.85255355 0.17501037 0.05713404 1.0 O O92 1 0.44286596 0.14744645 0.67501037 1.0 O O93 1 0.94286596 0.35255355 0.32498963 1.0 O O94 1 0.55713404 0.64744645 0.82498963 1.0 O O95 1 0.05713404 0.85255355 0.17501037 1.0 O O96 1 0.29596870 0.70482911 0.97071656 1.0 O O97 1 0.70403130 0.20482911 0.52928344 1.0 O O98 1 0.20403130 0.29517089 0.47071656 1.0 O O99 1 0.79596870 0.79517089 0.02928344 1.0 O O100 1 0.97071656 0.29596870 0.70482911 1.0 O O101 1 0.52928344 0.70403130 0.20482911 1.0 O O102 1 0.47071656 0.20403130 0.29517089 1.0 O O103 1 0.02928344 0.79596870 0.79517089 1.0 O O104 1 0.70482911 0.97071656 0.29596870 1.0 O O105 1 0.20482911 0.52928344 0.70403130 1.0 O O106 1 0.29517089 0.47071656 0.20403130 1.0 O O107 1 0.79517089 0.02928344 0.79596870 1.0 O O108 1 0.70403130 0.29517089 0.02928344 1.0 O O109 1 0.29596870 0.79517089 0.47071656 1.0 O O110 1 0.79596870 0.70482911 0.52928344 1.0 O O111 1 0.20403130 0.20482911 0.97071656 1.0 O O112 1 0.02928344 0.70403130 0.29517089 1.0 O O113 1 0.47071656 0.29596870 0.79517089 1.0 O O114 1 0.52928344 0.79596870 0.70482911 1.0 O O115 1 0.97071656 0.20403130 0.20482911 1.0 O O116 1 0.29517089 0.02928344 0.70403130 1.0 O O117 1 0.79517089 0.47071656 0.29596870 1.0 O O118 1 0.70482911 0.52928344 0.79596870 1.0 O O119 1 0.20482911 0.97071656 0.20403130 1.0 O O120 1 0.23427581 0.80272649 0.11530395 1.0 O O121 1 0.76572419 0.30272649 0.38469605 1.0 O O122 1 0.26572419 0.19727351 0.61530395 1.0 O O123 1 0.73427581 0.69727351 0.88469605 1.0 O O124 1 0.11530395 0.23427581 0.80272649 1.0 O O125 1 0.38469605 0.76572419 0.30272649 1.0 O O126 1 0.61530395 0.26572419 0.19727351 1.0 O O127 1 0.88469605 0.73427581 0.69727351 1.0 O O128 1 0.80272649 0.11530395 0.23427581 1.0 O O129 1 0.30272649 0.38469605 0.76572419 1.0 O O130 1 0.19727351 0.61530395 0.26572419 1.0 O O131 1 0.69727351 0.88469605 0.73427581 1.0 O O132 1 0.76572419 0.19727351 0.88469605 1.0 O O133 1 0.23427581 0.69727351 0.61530395 1.0 O O134 1 0.73427581 0.80272649 0.38469605 1.0 O O135 1 0.26572419 0.30272649 0.11530395 1.0 O O136 1 0.88469605 0.76572419 0.19727351 1.0 O O137 1 0.61530395 0.23427581 0.69727351 1.0 O O138 1 0.38469605 0.73427581 0.80272649 1.0 O O139 1 0.11530395 0.26572419 0.30272649 1.0 O O140 1 0.19727351 0.88469605 0.76572419 1.0 O O141 1 0.69727351 0.61530395 0.23427581 1.0 O O142 1 0.80272649 0.38469605 0.73427581 1.0 O O143 1 0.30272649 0.11530395 0.26572419 1.0