data_[Ac8Ru12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3243]
_cell_length_b [5.7262]
_cell_length_c [7.7254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Ru3O10]
_chemical_formula_sum '[Ac8 Ru12 O40]'
_cell_volume [750.2369]
_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
[
  Ac  Ac0  4  0.1156  0.5000  0.7131  1
  Ac  Ac1  4  0.2188  0.5000  0.3080  1
  Ru  Ru2  4  0.0000  0.2774  0.0000  1
  Ru  Ru3  4  0.0774  0.0000  0.4574  1
  Ru  Ru4  4  0.1770  0.0000  0.0180  1
  O  O5  8  0.1110  0.2664  0.0202  1
  O  O6  8  0.1504  0.2431  0.4667  1
  O  O7  4  0.0000  0.2298  0.5000  1
  O  O8  4  0.0227  0.5000  0.2077  1
  O  O9  4  0.0236  0.0000  0.1777  1
  O  O10  4  0.1359  0.0000  0.7353  1
  O  O11  4  0.2341  0.0000  0.2771  1
  O  O12  4  0.2500  0.2500  0.0000  1
]