data_[Co4H4Ru12C52O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5565]
_cell_length_b [15.3141]
_cell_length_c [15.8000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoHRu3(CO)13]
_chemical_formula_sum '[Co4 H4 Ru12 C52 O52]'
_cell_volume [1994.0831]
_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
[
  Co  Co0  4  0.1035  0.5934  0.6734  1
  H  H1  4  0.2471  0.5671  0.8658  1
  Ru  Ru2  4  0.2574  0.0261  0.2981  1
  Ru  Ru3  4  0.2863  0.6691  0.8184  1
  Ru  Ru4  4  0.4257  0.5741  0.6969  1
  C  C5  4  0.0128  0.0077  0.2004  1
  C  C6  4  0.0310  0.6719  0.7449  1
  C  C7  4  0.0596  0.1284  0.9128  1
  C  C8  4  0.1296  0.0824  0.3663  1
  C  C9  4  0.1999  0.7177  0.9091  1
  C  C10  4  0.2089  0.5674  0.5856  1
  C  C11  4  0.2806  0.1223  0.2258  1
  C  C12  4  0.3138  0.7262  0.2586  1
  C  C13  4  0.3715  0.0633  0.7160  1
  C  C14  4  0.4604  0.0492  0.3815  1
  C  C15  4  0.4916  0.0161  0.1301  1
  C  C16  4  0.4930  0.6720  0.6411  1
  C  C17  4  0.4978  0.1717  0.6048  1
  O  O18  4  0.0536  0.1190  0.4055  1
  O  O19  4  0.0863  0.2092  0.7490  1
  O  O20  4  0.1050  0.5515  0.3156  1
  O  O21  4  0.1479  0.7476  0.9629  1
  O  O22  4  0.1669  0.1530  0.9694  1
  O  O23  4  0.1843  0.5497  0.5108  1
  O  O24  4  0.2420  0.0548  0.6694  1
  O  O25  4  0.2966  0.1805  0.1819  1
  O  O26  4  0.3246  0.6624  0.2210  1
  O  O27  4  0.3735  0.1765  0.5528  1
  O  O28  4  0.4210  0.5648  0.0646  1
  O  O29  4  0.4656  0.2306  0.8944  1
  O  O30  4  0.4704  0.5692  0.4127  1
]