data_[Ac2Br2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9023]
_cell_length_b [6.9548]
_cell_length_c [7.0509]
_cell_angle_alpha [105.9190]
_cell_angle_beta [96.0598]
_cell_angle_gamma [98.8385]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AcBrO3]
_chemical_formula_sum '[Ac2 Br2 O6]'
_cell_volume [179.6245]
_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  0.1707  0.3728  0.2463  1
  Br  Br1  2  0.3814  0.1369  0.7181  1
  O  O2  2  0.2444  0.4152  0.6125  1
  O  O3  2  0.3467  0.6804  0.0679  1
  O  O4  2  0.4196  0.8942  0.7589  1
]