data_[Co2H16C12N12O4]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5605]
_cell_length_b [7.4394]
_cell_length_c [6.7068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoH8C6(N3O)2]
_chemical_formula_sum '[Co2 H16 C12 N12 O4]'
_cell_volume [541.7713]
_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
[
  Co  Co0  2  0.0000  0.0000  0.5000  1
  H  H1  8  0.2274  0.3803  0.8778  1
  H  H2  4  0.1323  0.0000  0.0468  1
  H  H3  4  0.2493  0.5000  0.2290  1
  C  C4  8  0.0842  0.3470  0.3228  1
  C  C5  4  0.2160  0.0000  0.0347  1
  N  N6  8  0.0558  0.2031  0.3523  1
  N  N7  4  0.1213  0.5000  0.2837  1
  O  O8  4  0.1784  0.0000  0.7937  1
]