data_[Ac4U2S12]
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 [P2_1/c]
_cell_length_a [6.7282]
_cell_length_b [7.8060]
_cell_length_c [11.2854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2US6]
_chemical_formula_sum '[Ac4 U2 S12]'
_cell_volume [493.1952]
_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  4  0.2206  0.6009  0.2539  1
  U  U1  2  0.5000  0.0000  0.5000  1
  S  S2  4  0.1314  0.6633  0.9489  1
  S  S3  4  0.2880  0.2072  0.9443  1
  S  S4  4  0.3527  0.5325  0.7417  1
]