data_[Ca8Co8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.9037]
_cell_length_b [5.5665]
_cell_length_c [5.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ca2Co2O5]
_chemical_formula_sum '[Ca8 Co8 O20]'
_cell_volume [441.0889]
_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
[
  Ca  Ca0  8  0.1077  0.5225  0.5434  1
  Co  Co1  4  0.0000  0.0000  0.5521  1
  Co  Co2  4  0.2500  0.0622  0.5072  1
  O  O3  8  0.0140  0.2470  0.2999  1
  O  O4  8  0.1407  0.5648  0.0722  1
  O  O5  4  0.2500  0.1155  0.1426  1
]