data_[Ag12S4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [26.2007]
_cell_length_b [4.6334]
_cell_length_c [4.6525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag6S2Br3]
_chemical_formula_sum '[Ag12 S4 Br6]'
_cell_volume [556.3453]
_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
[
  Ag  Ag0  4  0.0658  0.5000  0.0668  1
  Ag  Ag1  4  0.1208  0.0000  0.4936  1
  Ag  Ag2  4  0.1951  0.5000  0.7642  1
  S  S3  4  0.0985  0.5000  0.6028  1
  Br  Br4  4  0.2031  0.0000  0.1803  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]