data_[Ac8Hf4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hf  1.3000  1.5500  0.8500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.0024]
_cell_length_b [10.5842]
_cell_length_c [10.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac2HfF11]
_chemical_formula_sum '[Ac8 Hf4 F44]'
_cell_volume [1046.0592]
_cell_formula_units_Z [4]
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  8  0.1757  0.1931  0.5000  1
  Hf  Hf1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.0810  0.6565  0.1487  1
  F  F3  16  0.1812  0.4335  0.1446  1
  F  F4  8  0.1039  0.1768  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]