data_[Ac2O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6692]
_cell_length_b [4.3034]
_cell_length_c [4.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(OF2)2]
_chemical_formula_sum '[Ac2 O4 F8]'
_cell_volume [223.8598]
_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  0.0000  0.0000  0.0000  1
  O  O1  4  0.1903  0.5000  0.7205  1
  F  F2  4  0.1103  0.5000  0.0894  1
  F  F3  4  0.1107  0.0000  0.5983  1
]