data_5
_audit_creation_method         'generated by CrystalMaker X for Windows'
_cell_length_a                   6.150000
_cell_length_b                   4.200000
_cell_length_c                  13.100000
_cell_angle_alpha               90.000000
_cell_angle_beta               113.000000
_cell_angle_gamma               90.000000

_symmetry_space_group_name_H-M     'P 21/n'

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,1/2+y,1/2-z'
'-x,-y,-z'
'1/2+x,1/2-y,1/2+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C1  C 1.0  0.94649  0.60764  0.03451  0.01267
 C5  C 1.0  0.81435  0.45297  0.09515  0.01267
 C9  C 1.0  0.84846  0.11524  0.11343  0.01267
 C13  C 1.0  0.94751  0.91529  0.03515  0.01267
 C17  C 1.0  0.61014  0.63232  0.10448  0.01267
 C21  C 1.0  0.66087  -0.04456  0.14723  0.01267
 C25  C 1.0  0.44468  0.45299  0.13901  0.01267
 C29  C 1.0  0.46171  0.13267  0.15383  0.01267
 H1  H 1.0  1.00424  0.12181  0.18063  0.01267
 H5  H 1.0  0.51989  0.73369  0.03089  0.01267
 H9  H 1.0  0.72213  -0.10238  0.22388  0.01267
 H13  H 1.0  0.31075  0.56314  0.16425  0.01267
 H17  H 1.0  0.35687  0.04023  0.20092  0.01267

