data_[Ac2H2F7]
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 [P-1]
_cell_length_a [4.6357]
_cell_length_b [6.3731]
_cell_length_c [6.6455]
_cell_angle_alpha [91.5193]
_cell_angle_beta [109.1626]
_cell_angle_gamma [106.6710]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2H2F7]
_chemical_formula_sum '[Ac2 H2 F7]'
_cell_volume [176.0720]
_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  2  0.0423  0.2667  0.2717  1
  H  H1  2  0.4816  0.2518  0.7785  1
  F  F2  2  0.2445  0.1346  0.6491  1
  F  F3  2  0.2874  0.6226  0.1080  1
  F  F4  2  0.3251  0.6081  0.5753  1
  F  F5  1  0.0000  0.0000  0.0000  1
]