data_[Ag36S18Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4368]
_cell_length_b [11.4368]
_cell_length_c [10.7150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag12S6Cl]
_chemical_formula_sum '[Ag36 S18 Cl3]'
_cell_volume [1213.7568]
_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
[
  Ag  Ag0  18  0.0000  0.3304  0.5000  1.0
  Ag  Ag1  18  0.0854  0.1709  0.3244  1.0
  S  S2  18  0.0470  0.5235  0.3315  1.0
  Cl  Cl3  3  0.0000  0.0000  0.0000  1.0
]