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 [P2_1]
_cell_length_a [5.2578]
_cell_length_b [5.1922]
_cell_length_c [7.8716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ca2Co2O5]
_chemical_formula_sum '[Ca4 Co4 O10]'
_cell_volume [214.7698]
_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  0.2365  0.5007  0.2108  1
  Ca  Ca1  2  0.2557  0.4674  0.7033  1
  Co  Co2  2  0.2487  0.0235  0.9844  1
  Co  Co3  2  0.2497  0.9670  0.5285  1
  O  O4  2  0.0271  0.3267  0.9428  1
  O  O5  2  0.0502  0.6916  0.4473  1
  O  O6  2  0.2455  0.9055  0.7648  1
  O  O7  2  0.4381  0.2499  0.4586  1
  O  O8  2  0.4827  0.7919  0.0801  1
]