data_[Ac6S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5640]
_cell_length_b [4.2430]
_cell_length_c [7.2050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3(SO)2]
_chemical_formula_sum '[Ac6 S4 O4]'
_cell_volume [358.7477]
_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  0.2047  0.0000  0.6797  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.0984  0.5000  0.8404  1
  O  O3  4  0.1932  0.0000  0.3278  1
]