data_[Ca4Co18O26]
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 [C2/m]
_cell_length_a [9.8802]
_cell_length_b [2.9865]
_cell_length_c [16.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Co9O13]
_chemical_formula_sum '[Ca4 Co18 O26]'
_cell_volume [472.5799]
_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
[
  Ca  Ca0  4  0.2265  0.0000  0.2295  1
  Co  Co1  4  0.0056  0.0000  0.3373  1
  Co  Co2  4  0.0532  0.0000  0.8783  1
  Co  Co3  4  0.1509  0.5000  0.0389  1
  Co  Co4  4  0.2431  0.0000  0.5800  1
  Co  Co5  2  0.0000  0.5000  0.5000  1
  O  O6  4  0.0731  0.5000  0.1429  1
  O  O7  4  0.1016  0.0000  0.7707  1
  O  O8  4  0.1097  0.5000  0.6246  1
  O  O9  4  0.1214  0.5000  0.3155  1
  O  O10  4  0.1230  0.0000  0.4583  1
  O  O11  4  0.1894  0.5000  0.9172  1
  O  O12  2  0.0000  0.0000  0.0000  1
]