data_[Ca2Mn8Co4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.8412]
_cell_length_b [5.0219]
_cell_length_c [10.8021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaMn4(CoO6)2]
_chemical_formula_sum '[Ca2 Mn8 Co4 O24]'
_cell_volume [472.7043]
_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  0.0987  0.5000  1
  Mn  Mn1  4  0.0385  0.7545  0.7633  1
  Mn  Mn2  4  0.1268  0.2502  0.2372  1
  Co  Co3  4  0.2066  0.2521  0.7675  1
  O  O4  4  0.0212  0.4142  0.6677  1
  O  O5  4  0.0442  0.0738  0.8565  1
  O  O6  4  0.1075  0.5875  0.1497  1
  O  O7  4  0.1328  0.9335  0.3416  1
  O  O8  4  0.1845  0.9254  0.6685  1
  O  O9  4  0.2254  0.5876  0.8503  1
]