data_[Ac8Th4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.3986]
_cell_length_b [8.5765]
_cell_length_c [7.7848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac2ThS5]
_chemical_formula_sum '[Ac8 Th4 S20]'
_cell_volume [827.8131]
_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  0.1750  0.5020  0.4702  1
  Th  Th1  4  0.0079  0.7500  0.9331  1
  S  S2  8  0.0921  0.0371  0.8368  1
  S  S3  4  0.0029  0.7500  0.5520  1
  S  S4  4  0.1885  0.7500  0.1617  1
  S  S5  4  0.2120  0.2500  0.1874  1
]