data_Pb(CO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   120.13
_cell_angle_beta   120.13
_cell_angle_gamma   89.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb(CO)4
_chemical_formula_sum   'Pb2 C8 O8'
_cell_volume   274.73
_cell_formula_units_Z   2
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
  Pb  Pb16  1  0.0  0.64  0.59  1.0
  Pb  Pb17  1  0.0  0.0  0.0  1.0
  C  C0  1  0.64  0.0  0.98  1.0
  C  C1  1  0.0  0.0  0.22  1.0
  C  C2  1  0.0  0.0  0.13  1.0
  C  C3  1  0.64  0.0  0.19  1.0
  C  C4  1  0.0  0.0  0.57  1.0
  C  C5  1  0.64  0.0  0.63  1.0
  C  C6  1  0.64  0.0  0.54  1.0
  C  C7  1  0.0  0.0  0.78  1.0
  O  O8  1  0.0  0.11  0.51  1.0
  O  O9  1  0.64  0.53  0.34  1.0
  O  O10  1  0.53  0.64  0.66  1.0
  O  O11  1  0.11  0.0  0.83  1.0
  O  O12  1  0.89  0.64  0.1  1.0
  O  O13  1  0.11  0.64  0.1  1.0
  O  O14  1  0.0  0.76  0.07  1.0
  O  O15  1  0.0  0.53  0.07  1.0

data_Pb(CO)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.3
_cell_angle_alpha   119.94
_cell_angle_beta   119.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb(CO)4
_chemical_formula_sum   'Pb2 C8 O8'
_cell_volume   274.73
_cell_formula_units_Z   2
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
  Pb  Pb0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.06  0.64  0.06  1.0
  C  C2  1  0.02  0.0  0.66  1.0
  C  C3  1  0.22  0.0  0.22  1.0
  C  C4  1  0.37  0.0  0.01  1.0
  C  C5  1  0.43  0.0  0.43  1.0
  C  C6  1  0.46  0.0  0.1  1.0
  C  C7  1  0.78  0.0  0.78  1.0
  C  C8  1  0.81  0.0  0.45  1.0
  C  C9  1  0.87  0.0  0.87  1.0
  O  O10  1  0.17  0.0  0.28  1.0
  O  O11  1  0.19  0.53  0.84  1.0
  O  O12  1  0.46  0.53  0.46  1.0
  O  O13  1  0.54  0.64  0.43  1.0
  O  O14  1  0.54  0.64  0.65  1.0
  O  O15  1  0.6  0.11  0.6  1.0
  O  O16  1  0.68  0.76  0.68  1.0
  O  O17  1  0.98  0.64  0.52  1.0

Pb Pb C C C C C C C C O O O O O O O O