data_[Ac1S1O5]
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 [P3m1]
_cell_length_a [5.0312]
_cell_length_b [5.0312]
_cell_length_c [4.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AcSO5]
_chemical_formula_sum '[Ac1 S1 O5]'
_cell_volume [100.0142]
_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  1  0.6667  0.3333  0.2025  1
  S  S1  1  0.0000  0.0000  0.6174  1
  O  O2  3  0.3211  0.1606  0.7159  1
  O  O3  1  0.0000  0.0000  0.2897  1
  O  O4  1  0.3333  0.6667  0.2079  1
]