data_[Ac4S2Cl4O2]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4009]
_cell_length_b [8.6754]
_cell_length_c [7.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ac2SCl2O]
_chemical_formula_sum '[Ac4 S2 Cl4 O2]'
_cell_volume [287.1347]
_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  0.2068  0.2334  1
  Ac  Ac1  2  0.5000  0.3985  0.7880  1
  S  S2  2  0.0000  0.4519  0.5037  1
  Cl  Cl3  2  0.0000  0.1546  0.8446  1
  Cl  Cl4  2  0.5000  0.1083  0.5156  1
  O  O5  2  0.5000  0.3271  0.1603  1
]