data_[Ac8Br20F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9059]
_cell_length_b [14.8946]
_cell_length_c [20.8370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac2Br5F]
_chemical_formula_sum '[Ac8 Br20 F4]'
_cell_volume [1212.2268]
_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  8  0.0000  0.2649  0.6548  1
  Br  Br1  8  0.0000  0.0930  0.1095  1
  Br  Br2  8  0.0000  0.3381  0.0717  1
  Br  Br3  4  0.0000  0.3731  0.2500  1
  F  F4  4  0.0000  0.1840  0.2500  1
]