data_[Ac4U8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0222]
_cell_length_b [12.8451]
_cell_length_c [13.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac(US2)2]
_chemical_formula_sum '[Ac4 U8 S16]'
_cell_volume [688.5299]
_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  0.3844  0.2500  1
  U  U1  8  0.0000  0.1315  0.0595  1
  S  S2  8  0.0000  0.2338  0.6212  1
  S  S3  4  0.0000  0.0560  0.2500  1
  S  S4  4  0.0000  0.5000  0.0000  1
]