data_H(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   5.01
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H(CO)2
_chemical_formula_sum   'H4 C8 O8'
_cell_volume   181.57
_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
  H  H8  1  0.45  0.25  0.4  1.0
  H  H9  1  0.34  0.76  0.62  1.0
  H  H10  1  0.67  0.25  0.4  1.0
  H  H11  1  0.56  0.76  0.63  1.0
  C  C0  1  0.82  0.76  0.59  1.0
  C  C1  1  0.47  0.76  0.16  1.0
  C  C2  1  0.39  0.76  0.9  1.0
  C  C3  1  0.07  0.76  0.51  1.0
  C  C4  1  0.94  0.25  0.52  1.0
  C  C5  1  0.62  0.25  0.12  1.0
  C  C6  1  0.54  0.25  0.87  1.0
  C  C7  1  0.19  0.25  0.43  1.0
  O  O12  1  0.68  0.25  0.61  1.0
  O  O13  1  0.31  0.76  0.68  1.0
  O  O14  1  0.39  0.25  0.37  1.0
  O  O15  1  0.56  0.76  0.39  1.0
  O  O16  1  0.45  0.25  0.63  1.0
  O  O17  1  0.62  0.76  0.65  1.0
  O  O18  1  0.7  0.25  0.34  1.0
  O  O19  1  0.33  0.76  0.41  1.0

data_H(CO)2
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   6.01
_cell_length_b   5.01
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   H(CO)2
_chemical_formula_sum   'H4 C8 O8'
_cell_volume   181.57
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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
  H  H0  2  0.34  0.75  0.61  1.0
  H  H1  2  0.44  0.25  0.39  1.0
  C  C2  2  0.07  0.75  0.5  1.0
  C  C3  2  0.19  0.25  0.42  1.0
  C  C4  2  0.39  0.75  0.89  1.0
  C  C5  2  0.47  0.75  0.14  1.0
  O  O6  2  0.31  0.75  0.67  1.0
  O  O7  2  0.32  0.75  0.4  1.0
  O  O8  2  0.38  0.25  0.36  1.0
  O  O9  2  0.45  0.25  0.62  1.0

H H H H C C C C C C C C O O O O O O O O
H H H H C C C C C C C C O O O O O O O O 0 14 o o o 0 16 o o o 1 13 o o o 1 6 o o o 1 7 o o o 1 19 o o o 2 18 o o o 2 8 o o o 2 9 o o o 2 12 o o o 3 17 o o o 3 15 o o o 4 17 o o o 4 7 + o o 5 6 o o - 5 19 o o o 5 15 o o o 6 13 o o o 7 19 o o o 7 13 o o o 8 18 o o o 8 12 o o o 8 11 + o o 9 10 o o - 9 18 o o o 10 16 o o o 10 12 o o o 11 14 o o o 12 16 o o o 14 16 o o o 15 19 o o o 15 17 o o o 