data_[Ag12S9]
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
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [9.0246]
_cell_length_b [9.0246]
_cell_length_c [19.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Ag4S3]
_chemical_formula_sum '[Ag12 S9]'
_cell_volume [1390.5079]
_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  6  0.1831  0.8148  0.3954  1
  Ag  Ag1  3  0.0000  0.5000  0.4608  1
  Ag  Ag2  2  0.3333  0.6667  0.5129  1
  Ag  Ag3  1  0.0000  0.0000  0.3944  1
  S  S4  6  0.0927  0.7045  0.5708  1
  S  S5  3  0.0000  0.5000  0.6335  1
]