data_[Ac6Cu6Sb3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0872]
_cell_length_b [7.0872]
_cell_length_c [18.5761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Cu2SbS6]
_chemical_formula_sum '[Ac6 Cu6 Sb3 S18]'
_cell_volume [808.0521]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2171  1
  Cu  Cu1  6  0.0000  0.0000  0.4227  1
  Sb  Sb2  3  0.0000  0.0000  0.0000  1
  S  S3  18  0.0217  0.5109  0.7597  1
]