data_[Co8H8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.3704]
_cell_length_b [2.9407]
_cell_length_c [18.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoHO2]
_chemical_formula_sum '[Co8 H8 O16]'
_cell_volume [284.8562]
_cell_formula_units_Z [8]
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  2  0.0004  0.0000  0.9987  1
  Co  Co1  2  0.0016  0.5000  0.4995  1
  Co  Co2  2  0.2446  0.5000  0.2503  1
  Co  Co3  2  0.2541  0.0000  0.7477  1
  H  H4  2  0.1138  0.0000  0.3845  1
  H  H5  2  0.1421  0.5000  0.8810  1
  H  H6  2  0.3738  0.5000  0.6328  1
  H  H7  2  0.3809  0.0000  0.1328  1
  O  O8  2  0.0906  0.0000  0.3047  1
  O  O9  2  0.1117  0.5000  0.7998  1
  O  O10  2  0.1396  0.0000  0.4429  1
  O  O11  2  0.1602  0.5000  0.9390  1
  O  O12  2  0.3464  0.0000  0.0526  1
  O  O13  2  0.3591  0.5000  0.5518  1
  O  O14  2  0.3919  0.5000  0.6910  1
  O  O15  2  0.4043  0.0000  0.1910  1
]