data_[Ac2U4S12]
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 [C2/m]
_cell_length_a [13.5415]
_cell_length_b [5.1854]
_cell_length_c [9.2375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(US3)2]
_chemical_formula_sum '[Ac2 U4 S12]'
_cell_volume [530.5456]
_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  2  0.0000  0.0000  0.5000  1
  U  U1  4  0.1793  0.0000  0.0989  1
  S  S2  4  0.0336  0.0000  0.2048  1
  S  S3  4  0.1445  0.5000  0.5809  1
  S  S4  4  0.2337  0.5000  0.1072  1
]