data_[Ac24Ru8Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7923]
_cell_length_b [15.8346]
_cell_length_c [7.4282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac3RuBr]
_chemical_formula_sum '[Ac24 Ru8 Br8]'
_cell_volume [1483.8806]
_cell_formula_units_Z [8]
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  8  0.0923  0.3415  0.5552  1
  Ac  Ac1  8  0.1275  0.0735  0.6189  1
  Ac  Ac2  8  0.1353  0.1881  0.1126  1
  Ru  Ru3  4  0.0000  0.0671  0.2500  1
  Ru  Ru4  4  0.0000  0.2190  0.7500  1
  Br  Br5  8  0.1433  0.4525  0.9528  1
]