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