data_CO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   6.3
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CO
_chemical_formula_sum   'C4 O4'
_cell_volume   208.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.29  0.13  0.79  1.0
  C  C1  1  0.2  0.02  0.16  1.0
  C  C2  1  0.89  0.28  0.14  1.0
  C  C3  1  0.97  0.17  0.81  1.0
  O  O4  1  0.92  0.1  0.19  1.0
  O  O5  1  0.83  0.35  0.76  1.0
  O  O6  1  0.25  0.95  0.74  1.0
  O  O7  1  0.34  0.2  0.21  1.0

data_CO
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   6.3
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CO
_chemical_formula_sum   'C4 O4'
_cell_volume   208.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.2  0.02  0.16  1.0
  C  C1  1  0.29  0.13  0.79  1.0
  C  C2  1  0.89  0.28  0.14  1.0
  C  C3  1  0.97  0.17  0.81  1.0
  O  O4  1  0.25  0.95  0.74  1.0
  O  O5  1  0.34  0.2  0.21  1.0
  O  O6  1  0.83  0.35  0.76  1.0
  O  O7  1  0.92  0.1  0.19  1.0

C C C C O O O O
C C C C O O O O 0 6 o - o 0 3 - o o 1 4 - o o 1 7 o o o 2 4 o o o 3 5 o o o 