data_[Cs3Co3H54N18Cl12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1019]
_cell_length_b [7.1019]
_cell_length_c [26.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsCoH18N6(ClO2)4]
_chemical_formula_sum '[Cs3 Co3 H54 N18 Cl12 O24]'
_cell_volume [1153.9271]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  -0.0000  0.0000  0.5000  1
  Co  Co1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0080  0.6194  0.7160  1
  H  H3  18  0.0636  0.5314  0.3589  1
  H  H4  18  0.0863  0.5623  0.5889  1
  N  N5  18  0.0780  0.4950  0.6238  1
  Cl  Cl6  6  0.0000  0.0000  0.1919  1
  Cl  Cl7  6  0.0000  0.0000  0.3682  1
  O  O8  18  0.0760  0.8562  0.2104  1
  O  O9  6  0.0000  0.0000  0.1365  1
]