data_[Ac2H4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9984]
_cell_length_b [4.4589]
_cell_length_c [5.7231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcH2F8]
_chemical_formula_sum '[Ac2 H4 F16]'
_cell_volume [281.5610]
_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
  H  H1  4  0.1918  0.5000  0.9046  1
  F  F2  8  0.1158  0.1889  0.4732  1
  F  F3  4  0.0857  0.5000  0.9133  1
  F  F4  4  0.2224  0.0000  0.1034  1
]