data_[Ac8S6F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1767]
_cell_length_b [4.2689]
_cell_length_c [10.1307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4S3F7]
_chemical_formula_sum '[Ac8 S6 F14]'
_cell_volume [545.5246]
_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  4  0.1000  0.0000  0.3027  1
  Ac  Ac1  4  0.1643  0.5000  0.7677  1
  S  S2  4  0.1952  0.5000  0.2110  1
  S  S3  2  0.0000  0.0000  0.5000  1
  F  F4  4  0.0113  0.5000  0.7737  1
  F  F5  4  0.1730  0.0000  0.9209  1
  F  F6  4  0.1885  0.5000  0.5160  1
  F  F7  2  0.0000  0.0000  0.0000  1
]