data_[Co36C120O108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [9.4434]
_cell_length_b [9.4434]
_cell_length_c [54.4575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Co3C10O9]
_chemical_formula_sum '[Co36 C120 O108]'
_cell_volume [4205.7651]
_cell_formula_units_Z [12]
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  36  0.0430  0.1672  0.7127  1
  C  C1  36  0.0052  0.4254  0.4450  1
  C  C2  36  0.0083  0.4437  0.6128  1
  C  C3  36  0.0484  0.2022  0.6801  1
  C  C4  12  0.0000  0.0000  0.2367  1
  O  O5  36  0.0187  0.2241  0.5581  1
  O  O6  36  0.0416  0.2048  0.3944  1
  O  O7  36  0.0566  0.2325  0.6595  1
]