data_[Ac1Cl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5397]
_cell_length_b [6.0605]
_cell_length_c [8.1633]
_cell_angle_alpha [106.7083]
_cell_angle_beta [101.2540]
_cell_angle_gamma [101.1985]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac(ClF4)2]
_chemical_formula_sum '[Ac1 Cl2 F8]'
_cell_volume [203.3484]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Cl  Cl1  2  0.1284  0.6880  0.2627  1
  F  F2  2  0.0276  0.1663  0.9293  1
  F  F3  2  0.2743  0.5832  0.4168  1
  F  F4  2  0.3013  0.5835  0.8165  1
  F  F5  2  0.4630  0.0596  0.7043  1
]