data_[Ac4B8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4990]
_cell_length_b [10.9234]
_cell_length_c [5.8501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac(BS3)2]
_chemical_formula_sum '[Ac4 B8 S24]'
_cell_volume [747.4796]
_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  4  0.0000  0.2064  0.2500  1
  B  B1  8  0.2206  0.4518  0.8051  1
  S  S2  8  0.1244  0.0012  0.0921  1
  S  S3  8  0.1321  0.4668  0.4647  1
  S  S4  8  0.2186  0.2759  0.8117  1
]