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11031N2.cif
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data_crystal
_cell_length_a 42.81830
_cell_length_b 42.10560
_cell_length_c 14.78520
_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_
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H H 0.29184 0.29127 -0.16504 0.0000000000
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C C 0.31127 0.68957 0.04720 0.0000000000
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C C 0.68873 0.31043 -0.04720 0.0000000000
C C 0.18873 0.81042 -0.04720 0.0000000000
C C 0.37164 0.63090 0.00000 0.0000000000
C C 0.87164 0.13090 0.00000 0.0000000000
C C 0.62836 0.36910 0.00000 0.0000000000
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B B 0.65335 0.34445 0.00000 0.0000000000
B B 0.15335 0.84445 0.00000 0.0000000000
B B 0.65335 0.65554 0.00000 0.0000000000
B B 0.15335 0.15554 0.00000 0.0000000000
B B 0.34665 0.34445 0.00000 0.0000000000
B B 0.84665 0.84445 0.00000 0.0000000000
C C 0.25000 0.25000 -0.09545 0.0000000000
C C 0.75000 0.75000 -0.09545 0.0000000000
C C 0.75000 0.25000 0.09545 0.0000000000
C C 0.25000 0.75000 0.09545 0.0000000000
C C 0.75000 0.75000 0.09545 0.0000000000
C C 0.25000 0.25000 0.09545 0.0000000000
C C 0.25000 0.75000 -0.09545 0.0000000000
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H H 0.08467 0.08693 -0.14285 0.0000000000
H H 0.58467 0.58693 -0.14285 0.0000000000
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H H 0.41533 0.58693 -0.14285 0.0000000000
H H 0.12507 0.12679 -0.14292 0.0000000000
H H 0.62507 0.62679 -0.14292 0.0000000000
H H 0.87493 0.87321 -0.14292 0.0000000000
H H 0.37493 0.37321 -0.14292 0.0000000000
H H 0.87493 0.12679 0.14292 0.0000000000
H H 0.37493 0.62679 0.14292 0.0000000000
H H 0.12507 0.87321 0.14292 0.0000000000
H H 0.62507 0.37321 0.14292 0.0000000000
H H 0.87493 0.87321 0.14292 0.0000000000
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H H 0.62507 0.62679 0.14292 0.0000000000
H H 0.12507 0.87321 -0.14292 0.0000000000
H H 0.62507 0.37321 -0.14292 0.0000000000
H H 0.87493 0.12679 -0.14292 0.0000000000
H H 0.37493 0.62679 -0.14292 0.0000000000
H H 0.25000 0.25000 -0.16463 0.0000000000
H H 0.75000 0.75000 -0.16463 0.0000000000
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H H 0.75000 0.75000 0.16463 0.0000000000
H H 0.25000 0.25000 0.16463 0.0000000000
H H 0.25000 0.75000 -0.16463 0.0000000000
H H 0.75000 0.25000 -0.16463 0.0000000000
C C 0.41922 0.41710 0.50000 0.0000000000
C C 0.91922 0.91710 0.50000 0.0000000000
C C 0.58078 0.58289 0.50000 0.0000000000
C C 0.08078 0.08290 0.50000 0.0000000000
C C 0.58078 0.41710 0.50000 0.0000000000
C C 0.08078 0.91710 0.50000 0.0000000000
C C 0.41922 0.58289 0.50000 0.0000000000
C C 0.91922 0.08290 0.50000 0.0000000000
C C 0.29117 0.29061 0.40388 0.0000000000
C C 0.79117 0.79060 0.40388 0.0000000000
C C 0.70883 0.70939 0.40388 0.0000000000
C C 0.20883 0.20939 0.40388 0.0000000000
C C 0.70883 0.29061 0.59613 0.0000000000
C C 0.20883 0.79060 0.59613 0.0000000000
C C 0.29117 0.70939 0.59613 0.0000000000
C C 0.79117 0.20939 0.59613 0.0000000000
C C 0.70883 0.70939 0.59613 0.0000000000
C C 0.20883 0.20939 0.59613 0.0000000000
C C 0.29117 0.29061 0.59613 0.0000000000
C C 0.79117 0.79060 0.59613 0.0000000000
C C 0.29117 0.70939 0.40388 0.0000000000
C C 0.79117 0.20939 0.40388 0.0000000000
C C 0.70883 0.29061 0.40388 0.0000000000
C C 0.20883 0.79060 0.40388 0.0000000000
C C 0.27058 0.27030 0.45164 0.0000000000
C C 0.77058 0.77029 0.45164 0.0000000000
C C 0.72942 0.72970 0.45164 0.0000000000
C C 0.22942 0.22970 0.45164 0.0000000000
C C 0.72942 0.27030 0.54836 0.0000000000
C C 0.22942 0.77029 0.54836 0.0000000000
C C 0.27058 0.72970 0.54836 0.0000000000
C C 0.77058 0.22970 0.54836 0.0000000000
C C 0.72942 0.72970 0.54836 0.0000000000
C C 0.22942 0.22970 0.54836 0.0000000000
C C 0.27058 0.27030 0.54836 0.0000000000
C C 0.77058 0.77029 0.54836 0.0000000000
C C 0.27058 0.72970 0.45164 0.0000000000
C C 0.77058 0.22970 0.45164 0.0000000000
C C 0.72942 0.27030 0.45164 0.0000000000
C C 0.22942 0.77029 0.45164 0.0000000000
N N 0.54923 0.50000 0.50000 0.0000000000
N N 0.04923 -0.00000 0.50000 0.0000000000
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N N 0.95077 -0.00000 0.50000 0.0000000000
H H 0.52660 0.50000 0.50000 0.0000000000
H H 0.02660 -0.00000 0.50000 0.0000000000
H H 0.47340 0.50000 0.50000 0.0000000000
H H 0.97340 -0.00000 0.50000 0.0000000000
C C 0.56753 0.47342 0.50000 0.0000000000
C C 0.06753 0.97342 0.50000 0.0000000000
C C 0.43247 0.52658 0.50000 0.0000000000
C C 0.93247 0.02658 0.50000 0.0000000000
C C 0.43247 0.47342 0.50000 0.0000000000
C C 0.93247 0.97342 0.50000 0.0000000000
C C 0.56753 0.52658 0.50000 0.0000000000
C C 0.06753 0.02658 0.50000 0.0000000000
C C 0.59920 0.48413 0.50000 0.0000000000
C C 0.09920 0.98413 0.50000 0.0000000000
C C 0.40080 0.51587 0.50000 0.0000000000
C C 0.90080 0.01587 0.50000 0.0000000000
C C 0.40080 0.48413 0.50000 0.0000000000
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