data_[Ac4Au4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8973]
_cell_length_b [6.1036]
_cell_length_c [6.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcAuS4]
_chemical_formula_sum '[Ac4 Au4 S16]'
_cell_volume [578.9449]
_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  0.1756  0.0000  0.2520  1
  Au  Au1  4  0.1330  0.5000  0.8779  1
  S  S2  8  0.0663  0.2407  0.5541  1
  S  S3  4  0.0000  0.1687  0.0000  1
  S  S4  4  0.2284  0.5000  0.2563  1
]