data_[Ac4C8Br4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9563]
_cell_length_b [9.6989]
_cell_length_c [8.1429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcC2BrO6]
_chemical_formula_sum '[Ac4 C8 Br4 O24]'
_cell_volume [640.4055]
_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  0.0000  0.4167  0.7500  1
  C  C1  8  0.2357  0.1363  0.7056  1
  Br  Br2  4  0.0000  0.1001  0.2500  1
  O  O3  8  0.1343  0.4134  0.1295  1
  O  O4  8  0.1417  0.2249  0.7016  1
  O  O5  8  0.2166  0.0827  0.5426  1
]