data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         7.2421000000
_cell_length_b        20.3220000000
_cell_length_c         5.8538000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           861.526905
_space_group_crystal_system orthorhombic
_space_group_IT_number 27
_space_group_name_H-M_alt 'Pcc2'
_space_group_name_Hall 'P 2 -2c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,-1/2+z'
  'x,-y,-1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C      C      0.72420000000000     0.25250000000000     0.91980000000000
C      C      0.69890000000000     0.19590000000000     0.76470000000000
H      H      0.62560000000000     0.20330000000000     0.63270000000000
C      C      0.76770000000000     0.13590000000000     0.79010000000000
H      H      0.83240000000000     0.12540000000000     0.92640000000000
I      I      0.73794000000000     0.06382600000000     0.53955000000000
C      C      0.66920000000000     0.31450000000000     0.84470000000000
H      H      0.61220000000000     0.31860000000000     0.69930000000000
C      C      0.69540000000000     0.37050000000000     0.97620000000000
H      H      0.66060000000000     0.41270000000000     0.92130000000000
C      C      0.77510000000000     0.36280000000000     0.19270000000000
Br     Br     0.80663000000000     0.43799000000000     0.37936000000000
C      C      0.82900000000000     0.30220000000000     0.27300000000000
H      H      0.88460000000000     0.29840000000000     0.41940000000000
C      C      0.80160000000000     0.24660000000000     0.13850000000000
H      H      0.83540000000000     0.20440000000000     0.19500000000000
