data_[Ba8Ac40Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [27.9575]
_cell_length_b [8.3496]
_cell_length_c [11.2838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ac10Co3]
_chemical_formula_sum '[Ba8 Ac40 Co12]'
_cell_volume [2439.9250]
_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
[
  Ba  Ba0  4  0.1253  0.5000  0.7362  1
  Ba  Ba1  4  0.2310  0.5000  0.3180  1
  Ac  Ac2  8  0.1100  0.2439  0.0464  1
  Ac  Ac3  8  0.1367  0.2411  0.4428  1
  Ac  Ac4  4  0.0000  0.2368  0.5000  1
  Ac  Ac5  4  0.0163  0.0000  0.1910  1
  Ac  Ac6  4  0.0170  0.5000  0.1846  1
  Ac  Ac7  4  0.1290  0.0000  0.7478  1
  Ac  Ac8  4  0.2323  0.0000  0.2942  1
  Ac  Ac9  4  0.2500  0.2500  0.0000  1
  Co  Co10  4  0.0000  0.2521  0.0000  1
  Co  Co11  4  0.0715  0.0000  0.4780  1
  Co  Co12  4  0.1819  0.0000  0.0208  1
]