data_[Ac12Ru4Au2Br6]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6008]
_cell_length_b [13.1661]
_cell_length_c [8.6722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ru2AuBr3]
_chemical_formula_sum '[Ac12 Ru4 Au2 Br6]'
_cell_volume [830.4521]
_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
[
  Ac  Ac0  8  0.2427  0.1773  0.1965  1
  Ac  Ac1  4  0.2100  0.5000  0.1964  1
  Ru  Ru2  4  0.0000  0.3336  0.0000  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1699  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]