data_[Ac6Ru2Br6]
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 [P2_1/m]
_cell_length_a [9.5686]
_cell_length_b [4.4680]
_cell_length_c [12.8267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac3RuBr3]
_chemical_formula_sum '[Ac6 Ru2 Br6]'
_cell_volume [546.9659]
_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  2  0.0952  0.2500  0.3930  1
  Ac  Ac1  2  0.1251  0.2500  0.8427  1
  Ac  Ac2  2  0.3262  0.7500  0.6236  1
  Ru  Ru3  2  0.1170  0.2500  0.6271  1
  Br  Br4  2  0.1045  0.2500  0.1142  1
  Br  Br5  2  0.3573  0.7500  0.8767  1
  Br  Br6  2  0.3944  0.7500  0.3772  1
]