data_[Ca4Co4O10]
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 [Pmn2_1]
_cell_length_a [7.9255]
_cell_length_b [5.3711]
_cell_length_c [5.2178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ca2Co2O5]
_chemical_formula_sum '[Ca4 Co4 O10]'
_cell_volume [222.1145]
_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  2  0.0000  0.2934  0.9737  1
  Ca  Ca1  2  0.0000  0.7883  0.5316  1
  Co  Co2  4  0.2318  0.7478  0.0048  1
  O  O3  4  0.1947  0.0348  0.7670  1
  O  O4  4  0.2022  0.5316  0.7116  1
  O  O5  2  0.0000  0.7275  0.0984  1
]