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08020N2.cif
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data_crystal
_cell_length_a 14.57400
_cell_length_b 14.57400
_cell_length_c 6.80800
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_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
C C 0.61442 0.38558 0.25000 0.0000000000
C C 0.55579 0.44421 0.25000 0.0000000000
C C 0.61442 0.22884 0.25000 0.0000000000
C C 0.55579 0.11158 0.25000 0.0000000000
C C 0.77116 0.38558 0.25000 0.0000000000
C C 0.88842 0.44421 0.25000 0.0000000000
C C 0.38558 0.61442 0.25000 0.0000000000
C C 0.44421 0.55579 0.25000 0.0000000000
C C 0.38558 0.77116 0.25000 0.0000000000
C C 0.44421 0.88842 0.25000 0.0000000000
C C 0.22884 0.61442 0.25000 0.0000000000
C C 0.11158 0.55579 0.25000 0.0000000000
C C 0.61057 0.55561 0.25000 0.0000000000
H H 0.59755 0.69654 0.25000 0.0000000000
C C 0.44439 0.05496 0.25000 0.0000000000
H H 0.30346 0.90101 0.25000 0.0000000000
C C 0.94504 0.38943 0.25000 0.0000000000
H H 0.09899 0.40245 0.25000 0.0000000000
C C 0.38943 0.44439 0.25000 0.0000000000
H H 0.40245 0.30346 0.25000 0.0000000000
C C 0.55561 0.94504 0.25000 0.0000000000
H H 0.69654 0.09899 0.25000 0.0000000000
C C 0.05496 0.61057 0.25000 0.0000000000
H H 0.90101 0.59755 0.25000 0.0000000000
C C 0.55561 0.61057 0.25000 0.0000000000
H H 0.69654 0.59755 0.25000 0.0000000000
C C 0.05496 0.44439 0.25000 0.0000000000
H H 0.90101 0.30346 0.25000 0.0000000000
C C 0.38943 0.94504 0.25000 0.0000000000
H H 0.40245 0.09899 0.25000 0.0000000000
C C 0.44439 0.38943 0.25000 0.0000000000
H H 0.30346 0.40245 0.25000 0.0000000000
C C 0.94504 0.55561 0.25000 0.0000000000
H H 0.09899 0.69654 0.25000 0.0000000000
C C 0.61057 0.05496 0.25000 0.0000000000
H H 0.59755 0.90101 0.25000 0.0000000000
N N 0.44255 0.72127 0.25000 0.0000000000
N N 0.27873 0.72127 0.25000 0.0000000000
N N 0.27873 0.55745 0.25000 0.0000000000
N N 0.55745 0.27873 0.25000 0.0000000000
N N 0.72127 0.27873 0.25000 0.0000000000
N N 0.72127 0.44255 0.25000 0.0000000000
C C 0.61442 0.38558 0.75000 0.0000000000
C C 0.55579 0.44421 0.75000 0.0000000000
C C 0.61442 0.22884 0.75000 0.0000000000
C C 0.55579 0.11158 0.75000 0.0000000000
C C 0.77116 0.38558 0.75000 0.0000000000
C C 0.88842 0.44421 0.75000 0.0000000000
C C 0.38558 0.61442 0.75000 0.0000000000
C C 0.44421 0.55579 0.75000 0.0000000000
C C 0.38558 0.77116 0.75000 0.0000000000
C C 0.44421 0.88842 0.75000 0.0000000000
C C 0.22884 0.61442 0.75000 0.0000000000
C C 0.11158 0.55579 0.75000 0.0000000000
C C 0.61057 0.55561 0.75000 0.0000000000
H H 0.59755 0.69654 0.75000 0.0000000000
C C 0.44439 0.05496 0.75000 0.0000000000
H H 0.30346 0.90101 0.75000 0.0000000000
C C 0.94504 0.38943 0.75000 0.0000000000
H H 0.09899 0.40245 0.75000 0.0000000000
C C 0.38943 0.44439 0.75000 0.0000000000
H H 0.40245 0.30346 0.75000 0.0000000000
C C 0.55561 0.94504 0.75000 0.0000000000
H H 0.69654 0.09899 0.75000 0.0000000000
C C 0.05496 0.61057 0.75000 0.0000000000
H H 0.90101 0.59755 0.75000 0.0000000000
C C 0.55561 0.61057 0.75000 0.0000000000
H H 0.69654 0.59755 0.75000 0.0000000000
C C 0.05496 0.44439 0.75000 0.0000000000
H H 0.90101 0.30346 0.75000 0.0000000000
C C 0.38943 0.94504 0.75000 0.0000000000
H H 0.40245 0.09899 0.75000 0.0000000000
C C 0.44439 0.38943 0.75000 0.0000000000
H H 0.30346 0.40245 0.75000 0.0000000000
C C 0.94504 0.55561 0.75000 0.0000000000
H H 0.09899 0.69654 0.75000 0.0000000000
C C 0.61057 0.05496 0.75000 0.0000000000
H H 0.59755 0.90101 0.75000 0.0000000000
N N 0.44255 0.72127 0.75000 0.0000000000
N N 0.27873 0.72127 0.75000 0.0000000000
N N 0.27873 0.55745 0.75000 0.0000000000
N N 0.55745 0.27873 0.75000 0.0000000000
N N 0.72127 0.27873 0.75000 0.0000000000
N N 0.72127 0.44255 0.75000 0.0000000000