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13060N2.cif
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data_crystal
_cell_length_a 29.96840
_cell_length_b 27.91950
_cell_length_c 7.83400
_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
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C C 0.45898 0.94621 0.00000 0.0000000000
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C C 0.65630 0.78809 0.00000 0.0000000000
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H H 0.68263 0.71804 0.00000 0.0000000000
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C C 0.45627 0.10572 0.00000 0.0000000000
C C 0.41794 0.13981 0.00000 0.0000000000
C C 0.42306 0.19149 0.00000 0.0000000000
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C C 0.34370 0.21191 0.00000 0.0000000000
C C 0.33558 0.16250 0.00000 0.0000000000
C C 0.37095 0.12915 0.00000 0.0000000000
C C 0.30931 0.24632 0.00000 0.0000000000
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C C 0.42106 0.97526 0.00000 0.0000000000
C C 0.45627 0.89428 0.00000 0.0000000000
C C 0.41794 0.86019 0.00000 0.0000000000
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C C 0.65630 0.21191 0.00000 0.0000000000
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C C 0.50000 0.97344 0.00000 0.0000000000
C C 0.04102 0.55379 0.50000 0.0000000000
C C 0.07894 0.47526 0.50000 0.0000000000
C C 0.04373 0.39428 0.50000 0.0000000000
C C 0.08206 0.36019 0.50000 0.0000000000
C C 0.07694 0.30851 0.50000 0.0000000000
C C 0.11142 0.27416 0.50000 0.0000000000
C C 0.15630 0.28809 0.50000 0.0000000000
C C 0.16442 0.33750 0.50000 0.0000000000
C C 0.12905 0.37085 0.50000 0.0000000000
C C 0.19069 0.25368 0.50000 0.0000000000
H H 0.10930 0.46244 0.50000 0.0000000000
H H 0.04728 0.29133 0.50000 0.0000000000
H H 0.10332 0.23847 0.50000 0.0000000000
H H 0.19670 0.34972 0.50000 0.0000000000
H H 0.14206 0.40334 0.50000 0.0000000000
H H 0.18263 0.21804 0.50000 0.0000000000
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C C 0.95898 0.44621 0.50000 0.0000000000
C C 0.92106 0.52474 0.50000 0.0000000000
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C C 0.91794 0.63981 0.50000 0.0000000000
C C 0.92306 0.69149 0.50000 0.0000000000
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C C 0.83558 0.66250 0.50000 0.0000000000
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C C 0.80931 0.74632 0.50000 0.0000000000
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H H 0.95272 0.70867 0.50000 0.0000000000
H H 0.89668 0.76153 0.50000 0.0000000000
H H 0.80330 0.65028 0.50000 0.0000000000
H H 0.85794 0.59666 0.50000 0.0000000000
H H 0.81737 0.78196 0.50000 0.0000000000
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C C 0.95898 0.55379 0.50000 0.0000000000
C C 0.92106 0.47526 0.50000 0.0000000000
C C 0.95627 0.39428 0.50000 0.0000000000
C C 0.91794 0.36019 0.50000 0.0000000000
C C 0.92306 0.30851 0.50000 0.0000000000
C C 0.88858 0.27416 0.50000 0.0000000000
C C 0.84370 0.28809 0.50000 0.0000000000
C C 0.83558 0.33750 0.50000 0.0000000000
C C 0.87095 0.37085 0.50000 0.0000000000
C C 0.80931 0.25368 0.50000 0.0000000000
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H H 0.95272 0.29133 0.50000 0.0000000000
H H 0.89668 0.23847 0.50000 0.0000000000
H H 0.80330 0.34972 0.50000 0.0000000000
H H 0.85794 0.40334 0.50000 0.0000000000
H H 0.81737 0.21804 0.50000 0.0000000000
C C 0.45898 0.05379 0.50000 0.0000000000
C C 0.04102 0.44621 0.50000 0.0000000000
C C 0.07894 0.52474 0.50000 0.0000000000
C C 0.04373 0.60572 0.50000 0.0000000000
C C 0.08206 0.63981 0.50000 0.0000000000
C C 0.07694 0.69149 0.50000 0.0000000000
C C 0.11142 0.72584 0.50000 0.0000000000
C C 0.15630 0.71191 0.50000 0.0000000000
C C 0.16442 0.66250 0.50000 0.0000000000
C C 0.12905 0.62915 0.50000 0.0000000000
C C 0.19069 0.74632 0.50000 0.0000000000
H H 0.10930 0.53756 0.50000 0.0000000000
H H 0.04728 0.70867 0.50000 0.0000000000
H H 0.10332 0.76153 0.50000 0.0000000000
H H 0.19670 0.65028 0.50000 0.0000000000
H H 0.14206 0.59666 0.50000 0.0000000000
H H 0.18263 0.78196 0.50000 0.0000000000
C C 0.54102 0.94621 0.50000 0.0000000000
C C 0.57894 0.97526 0.50000 0.0000000000
C C 0.54373 0.89428 0.50000 0.0000000000
C C 0.58206 0.86019 0.50000 0.0000000000
C C 0.57694 0.80851 0.50000 0.0000000000
C C 0.61142 0.77416 0.50000 0.0000000000
C C 0.65630 0.78809 0.50000 0.0000000000
C C 0.66442 0.83750 0.50000 0.0000000000
C C 0.62905 0.87085 0.50000 0.0000000000
C C 0.69069 0.75368 0.50000 0.0000000000
H H 0.60930 0.96244 0.50000 0.0000000000
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H H 0.68263 0.71804 0.50000 0.0000000000
C C 0.42106 0.02474 0.50000 0.0000000000
C C 0.45627 0.10572 0.50000 0.0000000000
C C 0.41794 0.13981 0.50000 0.0000000000
C C 0.42306 0.19149 0.50000 0.0000000000
C C 0.38858 0.22584 0.50000 0.0000000000
C C 0.34370 0.21191 0.50000 0.0000000000
C C 0.33558 0.16250 0.50000 0.0000000000
C C 0.37095 0.12915 0.50000 0.0000000000
C C 0.30931 0.24632 0.50000 0.0000000000
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C C 0.42106 0.97526 0.50000 0.0000000000
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C C 0.38858 0.77416 0.50000 0.0000000000
C C 0.34370 0.78809 0.50000 0.0000000000
C C 0.33558 0.83750 0.50000 0.0000000000
C C 0.37095 0.87085 0.50000 0.0000000000
C C 0.30931 0.75368 0.50000 0.0000000000
H H 0.39070 0.96244 0.50000 0.0000000000
H H 0.45272 0.79133 0.50000 0.0000000000
H H 0.39668 0.73847 0.50000 0.0000000000
H H 0.30330 0.84972 0.50000 0.0000000000
H H 0.35794 0.90334 0.50000 0.0000000000
H H 0.31737 0.71804 0.50000 0.0000000000
C C 0.57894 0.02474 0.50000 0.0000000000
C C 0.54373 0.10572 0.50000 0.0000000000
C C 0.58206 0.13981 0.50000 0.0000000000
C C 0.57694 0.19149 0.50000 0.0000000000
C C 0.61142 0.22584 0.50000 0.0000000000
C C 0.65630 0.21191 0.50000 0.0000000000
C C 0.66442 0.16250 0.50000 0.0000000000
C C 0.62905 0.12915 0.50000 0.0000000000
C C 0.69069 0.24632 0.50000 0.0000000000
H H 0.60930 0.03756 0.50000 0.0000000000
H H 0.54728 0.20867 0.50000 0.0000000000
H H 0.60332 0.26153 0.50000 0.0000000000
H H 0.69670 0.15028 0.50000 0.0000000000
H H 0.64206 0.09666 0.50000 0.0000000000
H H 0.68263 0.28196 0.50000 0.0000000000
N N 0.23422 0.26582 0.50000 0.0000000000
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C C 0.50000 0.02656 0.50000 0.0000000000
C C 0.50000 0.97344 0.50000 0.0000000000