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12023N2.cif
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data_crystal
_cell_length_a 35.70100
_cell_length_b 35.70100
_cell_length_c 6.72200
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_symmetry_space_group_name_Hall 'P 1'
_symmetry_space_group_name_H-M 'P 1'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_charge
Zn Zn 0.50000 0.50000 0.25000 0.0000000000
C C 0.01988 0.50000 0.25000 0.0000000000
C C 0.14089 0.50000 0.25000 0.0000000000
C C 0.22166 0.50000 0.25000 0.0000000000
B B 0.26392 0.50000 0.25000 0.0000000000
N N 0.09928 0.50000 0.25000 0.0000000000
N N 0.44716 0.50000 0.25000 0.0000000000
C C 0.98012 0.50000 0.25000 0.0000000000
C C 0.85911 0.50000 0.25000 0.0000000000
C C 0.77834 0.50000 0.25000 0.0000000000
B B 0.73608 0.50000 0.25000 0.0000000000
N N 0.90072 0.50000 0.25000 0.0000000000
N N 0.55284 0.50000 0.25000 0.0000000000
C C 0.50000 0.01988 0.25000 0.0000000000
C C 0.50000 0.14089 0.25000 0.0000000000
C C 0.50000 0.22166 0.25000 0.0000000000
B B 0.50000 0.26392 0.25000 0.0000000000
N N 0.50000 0.09928 0.25000 0.0000000000
N N 0.50000 0.44716 0.25000 0.0000000000
C C 0.50000 0.98012 0.25000 0.0000000000
C C 0.50000 0.85911 0.25000 0.0000000000
C C 0.50000 0.77834 0.25000 0.0000000000
B B 0.50000 0.73608 0.25000 0.0000000000
N N 0.50000 0.90072 0.25000 0.0000000000
N N 0.50000 0.55284 0.25000 0.0000000000
C C 0.01988 0.43310 0.25000 0.0000000000
C C 0.03970 0.46655 0.25000 0.0000000000
C C 0.07919 0.46655 0.25000 0.0000000000
C C 0.16206 0.46655 0.25000 0.0000000000
C C 0.20133 0.46655 0.25000 0.0000000000
C C 0.31942 0.48086 0.25000 0.0000000000
C C 0.35294 0.46024 0.25000 0.0000000000
C C 0.38632 0.48097 0.25000 0.0000000000
C C 0.42349 0.47026 0.25000 0.0000000000
O O 0.09583 0.43571 0.25000 0.0000000000
O O 0.28529 0.46750 0.25000 0.0000000000
H H 0.03510 0.40673 0.25000 0.0000000000
H H 0.14792 0.43959 0.25000 0.0000000000
H H 0.21656 0.44018 0.25000 0.0000000000
H H 0.35209 0.42980 0.25000 0.0000000000
C C 0.98012 0.56690 0.25000 0.0000000000
C C 0.96030 0.53345 0.25000 0.0000000000
C C 0.92081 0.53345 0.25000 0.0000000000
C C 0.83794 0.53345 0.25000 0.0000000000
C C 0.79866 0.53345 0.25000 0.0000000000
C C 0.68058 0.51914 0.25000 0.0000000000
C C 0.64706 0.53976 0.25000 0.0000000000
C C 0.61368 0.51903 0.25000 0.0000000000
C C 0.57651 0.52974 0.25000 0.0000000000
O O 0.90417 0.56429 0.25000 0.0000000000
O O 0.71471 0.53250 0.25000 0.0000000000
H H 0.96490 0.59327 0.25000 0.0000000000
H H 0.85208 0.56041 0.25000 0.0000000000
H H 0.78344 0.55982 0.25000 0.0000000000
H H 0.64791 0.57020 0.25000 0.0000000000
C C 0.56690 0.01988 0.25000 0.0000000000
C C 0.53345 0.03970 0.25000 0.0000000000
C C 0.53345 0.07919 0.25000 0.0000000000
C C 0.53345 0.16206 0.25000 0.0000000000
C C 0.53345 0.20133 0.25000 0.0000000000
C C 0.51914 0.31942 0.25000 0.0000000000
C C 0.53976 0.35294 0.25000 0.0000000000
C C 0.51903 0.38632 0.25000 0.0000000000
C C 0.52974 0.42349 0.25000 0.0000000000
O O 0.56429 0.09583 0.25000 0.0000000000
O O 0.53250 0.28529 0.25000 0.0000000000
H H 0.59327 0.03510 0.25000 0.0000000000
H H 0.56041 0.14792 0.25000 0.0000000000
H H 0.55982 0.21656 0.25000 0.0000000000
H H 0.57020 0.35209 0.25000 0.0000000000
C C 0.43310 0.98012 0.25000 0.0000000000
C C 0.46655 0.96030 0.25000 0.0000000000
C C 0.46655 0.92081 0.25000 0.0000000000
C C 0.46655 0.83794 0.25000 0.0000000000
C C 0.46655 0.79866 0.25000 0.0000000000
C C 0.48086 0.68058 0.25000 0.0000000000
C C 0.46024 0.64706 0.25000 0.0000000000
C C 0.48097 0.61368 0.25000 0.0000000000
C C 0.47026 0.57651 0.25000 0.0000000000
O O 0.43571 0.90417 0.25000 0.0000000000
O O 0.46750 0.71471 0.25000 0.0000000000
H H 0.40673 0.96490 0.25000 0.0000000000
H H 0.43959 0.85208 0.25000 0.0000000000
H H 0.44018 0.78344 0.25000 0.0000000000
H H 0.42980 0.64791 0.25000 0.0000000000
C C 0.98012 0.43310 0.25000 0.0000000000
C C 0.96030 0.46655 0.25000 0.0000000000
C C 0.92081 0.46655 0.25000 0.0000000000
C C 0.83794 0.46655 0.25000 0.0000000000
C C 0.79866 0.46655 0.25000 0.0000000000
C C 0.68058 0.48086 0.25000 0.0000000000
C C 0.64706 0.46024 0.25000 0.0000000000
C C 0.61368 0.48097 0.25000 0.0000000000
C C 0.57651 0.47026 0.25000 0.0000000000
O O 0.90417 0.43571 0.25000 0.0000000000
O O 0.71471 0.46750 0.25000 0.0000000000
H H 0.96490 0.40673 0.25000 0.0000000000
H H 0.85208 0.43959 0.25000 0.0000000000
H H 0.78344 0.44018 0.25000 0.0000000000
H H 0.64791 0.42980 0.25000 0.0000000000
C C 0.01988 0.56690 0.25000 0.0000000000
C C 0.03970 0.53345 0.25000 0.0000000000
C C 0.07919 0.53345 0.25000 0.0000000000
C C 0.16206 0.53345 0.25000 0.0000000000
C C 0.20133 0.53345 0.25000 0.0000000000
C C 0.31942 0.51914 0.25000 0.0000000000
C C 0.35294 0.53976 0.25000 0.0000000000
C C 0.38632 0.51903 0.25000 0.0000000000
C C 0.42349 0.52974 0.25000 0.0000000000
O O 0.09583 0.56429 0.25000 0.0000000000
O O 0.28529 0.53250 0.25000 0.0000000000
H H 0.03510 0.59327 0.25000 0.0000000000
H H 0.14792 0.56041 0.25000 0.0000000000
H H 0.21656 0.55982 0.25000 0.0000000000
H H 0.35209 0.57020 0.25000 0.0000000000
C C 0.43310 0.01988 0.25000 0.0000000000
C C 0.46655 0.03970 0.25000 0.0000000000
C C 0.46655 0.07919 0.25000 0.0000000000
C C 0.46655 0.16206 0.25000 0.0000000000
C C 0.46655 0.20133 0.25000 0.0000000000
C C 0.48086 0.31942 0.25000 0.0000000000
C C 0.46024 0.35294 0.25000 0.0000000000
C C 0.48097 0.38632 0.25000 0.0000000000
C C 0.47026 0.42349 0.25000 0.0000000000
O O 0.43571 0.09583 0.25000 0.0000000000
O O 0.46750 0.28529 0.25000 0.0000000000
H H 0.40673 0.03510 0.25000 0.0000000000
H H 0.43959 0.14792 0.25000 0.0000000000
H H 0.44018 0.21656 0.25000 0.0000000000
H H 0.42980 0.35209 0.25000 0.0000000000
C C 0.56690 0.98012 0.25000 0.0000000000
C C 0.53345 0.96030 0.25000 0.0000000000
C C 0.53345 0.92081 0.25000 0.0000000000
C C 0.53345 0.83794 0.25000 0.0000000000
C C 0.53345 0.79866 0.25000 0.0000000000
C C 0.51914 0.68058 0.25000 0.0000000000
C C 0.53976 0.64706 0.25000 0.0000000000
C C 0.51903 0.61368 0.25000 0.0000000000
C C 0.52974 0.57651 0.25000 0.0000000000
O O 0.56429 0.90417 0.25000 0.0000000000
O O 0.53250 0.71471 0.25000 0.0000000000
H H 0.59327 0.96490 0.25000 0.0000000000
H H 0.56041 0.85208 0.25000 0.0000000000
H H 0.55982 0.78344 0.25000 0.0000000000
H H 0.57020 0.64791 0.25000 0.0000000000
N N 0.43452 0.43452 0.25000 0.0000000000
N N 0.56548 0.56548 0.25000 0.0000000000
N N 0.56548 0.43452 0.25000 0.0000000000
N N 0.43452 0.56548 0.25000 0.0000000000
Zn Zn 0.50000 0.50000 0.75000 0.0000000000
C C 0.01988 0.50000 0.75000 0.0000000000
C C 0.14089 0.50000 0.75000 0.0000000000
C C 0.22166 0.50000 0.75000 0.0000000000
B B 0.26392 0.50000 0.75000 0.0000000000
N N 0.09928 0.50000 0.75000 0.0000000000
N N 0.44716 0.50000 0.75000 0.0000000000
C C 0.98012 0.50000 0.75000 0.0000000000
C C 0.85911 0.50000 0.75000 0.0000000000
C C 0.77834 0.50000 0.75000 0.0000000000
B B 0.73608 0.50000 0.75000 0.0000000000
N N 0.90072 0.50000 0.75000 0.0000000000
N N 0.55284 0.50000 0.75000 0.0000000000
C C 0.50000 0.01988 0.75000 0.0000000000
C C 0.50000 0.14089 0.75000 0.0000000000
C C 0.50000 0.22166 0.75000 0.0000000000
B B 0.50000 0.26392 0.75000 0.0000000000
N N 0.50000 0.09928 0.75000 0.0000000000
N N 0.50000 0.44716 0.75000 0.0000000000
C C 0.50000 0.98012 0.75000 0.0000000000
C C 0.50000 0.85911 0.75000 0.0000000000
C C 0.50000 0.77834 0.75000 0.0000000000
B B 0.50000 0.73608 0.75000 0.0000000000
N N 0.50000 0.90072 0.75000 0.0000000000
N N 0.50000 0.55284 0.75000 0.0000000000
C C 0.01988 0.43310 0.75000 0.0000000000
C C 0.03970 0.46655 0.75000 0.0000000000
C C 0.07919 0.46655 0.75000 0.0000000000
C C 0.16206 0.46655 0.75000 0.0000000000
C C 0.20133 0.46655 0.75000 0.0000000000
C C 0.31942 0.48086 0.75000 0.0000000000
C C 0.35294 0.46024 0.75000 0.0000000000
C C 0.38632 0.48097 0.75000 0.0000000000
C C 0.42349 0.47026 0.75000 0.0000000000
O O 0.09583 0.43571 0.75000 0.0000000000
O O 0.28529 0.46750 0.75000 0.0000000000
H H 0.03510 0.40673 0.75000 0.0000000000
H H 0.14792 0.43959 0.75000 0.0000000000
H H 0.21656 0.44018 0.75000 0.0000000000
H H 0.35209 0.42980 0.75000 0.0000000000
C C 0.98012 0.56690 0.75000 0.0000000000
C C 0.96030 0.53345 0.75000 0.0000000000
C C 0.92081 0.53345 0.75000 0.0000000000
C C 0.83794 0.53345 0.75000 0.0000000000
C C 0.79866 0.53345 0.75000 0.0000000000
C C 0.68058 0.51914 0.75000 0.0000000000
C C 0.64706 0.53976 0.75000 0.0000000000
C C 0.61368 0.51903 0.75000 0.0000000000
C C 0.57651 0.52974 0.75000 0.0000000000
O O 0.90417 0.56429 0.75000 0.0000000000
O O 0.71471 0.53250 0.75000 0.0000000000
H H 0.96490 0.59327 0.75000 0.0000000000
H H 0.85208 0.56041 0.75000 0.0000000000
H H 0.78344 0.55982 0.75000 0.0000000000
H H 0.64791 0.57020 0.75000 0.0000000000
C C 0.56690 0.01988 0.75000 0.0000000000
C C 0.53345 0.03970 0.75000 0.0000000000
C C 0.53345 0.07919 0.75000 0.0000000000
C C 0.53345 0.16206 0.75000 0.0000000000
C C 0.53345 0.20133 0.75000 0.0000000000
C C 0.51914 0.31942 0.75000 0.0000000000
C C 0.53976 0.35294 0.75000 0.0000000000
C C 0.51903 0.38632 0.75000 0.0000000000
C C 0.52974 0.42349 0.75000 0.0000000000
O O 0.56429 0.09583 0.75000 0.0000000000
O O 0.53250 0.28529 0.75000 0.0000000000
H H 0.59327 0.03510 0.75000 0.0000000000
H H 0.56041 0.14792 0.75000 0.0000000000
H H 0.55982 0.21656 0.75000 0.0000000000
H H 0.57020 0.35209 0.75000 0.0000000000
C C 0.43310 0.98012 0.75000 0.0000000000
C C 0.46655 0.96030 0.75000 0.0000000000
C C 0.46655 0.92081 0.75000 0.0000000000
C C 0.46655 0.83794 0.75000 0.0000000000
C C 0.46655 0.79866 0.75000 0.0000000000
C C 0.48086 0.68058 0.75000 0.0000000000
C C 0.46024 0.64706 0.75000 0.0000000000
C C 0.48097 0.61368 0.75000 0.0000000000
C C 0.47026 0.57651 0.75000 0.0000000000
O O 0.43571 0.90417 0.75000 0.0000000000
O O 0.46750 0.71471 0.75000 0.0000000000
H H 0.40673 0.96490 0.75000 0.0000000000
H H 0.43959 0.85208 0.75000 0.0000000000
H H 0.44018 0.78344 0.75000 0.0000000000
H H 0.42980 0.64791 0.75000 0.0000000000
C C 0.98012 0.43310 0.75000 0.0000000000
C C 0.96030 0.46655 0.75000 0.0000000000
C C 0.92081 0.46655 0.75000 0.0000000000
C C 0.83794 0.46655 0.75000 0.0000000000
C C 0.79866 0.46655 0.75000 0.0000000000
C C 0.68058 0.48086 0.75000 0.0000000000
C C 0.64706 0.46024 0.75000 0.0000000000
C C 0.61368 0.48097 0.75000 0.0000000000
C C 0.57651 0.47026 0.75000 0.0000000000
O O 0.90417 0.43571 0.75000 0.0000000000
O O 0.71471 0.46750 0.75000 0.0000000000
H H 0.96490 0.40673 0.75000 0.0000000000
H H 0.85208 0.43959 0.75000 0.0000000000
H H 0.78344 0.44018 0.75000 0.0000000000
H H 0.64791 0.42980 0.75000 0.0000000000
C C 0.01988 0.56690 0.75000 0.0000000000
C C 0.03970 0.53345 0.75000 0.0000000000
C C 0.07919 0.53345 0.75000 0.0000000000
C C 0.16206 0.53345 0.75000 0.0000000000
C C 0.20133 0.53345 0.75000 0.0000000000
C C 0.31942 0.51914 0.75000 0.0000000000
C C 0.35294 0.53976 0.75000 0.0000000000
C C 0.38632 0.51903 0.75000 0.0000000000
C C 0.42349 0.52974 0.75000 0.0000000000
O O 0.09583 0.56429 0.75000 0.0000000000
O O 0.28529 0.53250 0.75000 0.0000000000
H H 0.03510 0.59327 0.75000 0.0000000000
H H 0.14792 0.56041 0.75000 0.0000000000
H H 0.21656 0.55982 0.75000 0.0000000000
H H 0.35209 0.57020 0.75000 0.0000000000
C C 0.43310 0.01988 0.75000 0.0000000000
C C 0.46655 0.03970 0.75000 0.0000000000
C C 0.46655 0.07919 0.75000 0.0000000000
C C 0.46655 0.16206 0.75000 0.0000000000
C C 0.46655 0.20133 0.75000 0.0000000000
C C 0.48086 0.31942 0.75000 0.0000000000
C C 0.46024 0.35294 0.75000 0.0000000000
C C 0.48097 0.38632 0.75000 0.0000000000
C C 0.47026 0.42349 0.75000 0.0000000000
O O 0.43571 0.09583 0.75000 0.0000000000
O O 0.46750 0.28529 0.75000 0.0000000000
H H 0.40673 0.03510 0.75000 0.0000000000
H H 0.43959 0.14792 0.75000 0.0000000000
H H 0.44018 0.21656 0.75000 0.0000000000
H H 0.42980 0.35209 0.75000 0.0000000000
C C 0.56690 0.98012 0.75000 0.0000000000
C C 0.53345 0.96030 0.75000 0.0000000000
C C 0.53345 0.92081 0.75000 0.0000000000
C C 0.53345 0.83794 0.75000 0.0000000000
C C 0.53345 0.79866 0.75000 0.0000000000
C C 0.51914 0.68058 0.75000 0.0000000000
C C 0.53976 0.64706 0.75000 0.0000000000
C C 0.51903 0.61368 0.75000 0.0000000000
C C 0.52974 0.57651 0.75000 0.0000000000
O O 0.56429 0.90417 0.75000 0.0000000000
O O 0.53250 0.71471 0.75000 0.0000000000
H H 0.59327 0.96490 0.75000 0.0000000000
H H 0.56041 0.85208 0.75000 0.0000000000
H H 0.55982 0.78344 0.75000 0.0000000000
H H 0.57020 0.64791 0.75000 0.0000000000
N N 0.43452 0.43452 0.75000 0.0000000000
N N 0.56548 0.56548 0.75000 0.0000000000
N N 0.56548 0.43452 0.75000 0.0000000000
N N 0.43452 0.56548 0.75000 0.0000000000