data_[Ac3I3Br3F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4340]
_cell_length_b [4.4340]
_cell_length_c [24.4070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcIBrF]
_chemical_formula_sum '[Ac3 I3 Br3 F3]'
_cell_volume [415.5545]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7189  1
  I  I1  3  0.0000  0.0000  0.9581  1
  Br  Br2  3  0.0000  0.0000  0.1327  1
  F  F3  3  0.0000  0.0000  0.3859  1
]