data_[Ac12Au2S10]
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 [7.5633]
_cell_length_b [13.0956]
_cell_length_c [7.5479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6AuS5]
_chemical_formula_sum '[Ac12 Au2 S10]'
_cell_volume [704.5524]
_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  8  0.2458  0.3300  0.7464  1
  Ac  Ac1  4  0.2451  0.5000  0.2540  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.1661  0.5000  1
  S  S4  4  0.0000  0.3337  0.0000  1
  S  S5  2  0.0000  0.5000  0.5000  1
]