data_[Ag6Sn12S18Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1005]
_cell_length_b [8.1005]
_cell_length_c [19.0605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [AgSn2S3Br]
_chemical_formula_sum '[Ag6 Sn12 S18 Br6]'
_cell_volume [1083.1433]
_cell_formula_units_Z [6]
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  0.0000  0.0000  0.4191  1
  Sn  Sn1  9  0.0000  0.5000  0.5000  1
  Sn  Sn2  3  0.0000  0.0000  0.0000  1
  S  S3  18  0.0281  0.5140  0.7504  1
  Br  Br4  6  0.0000  0.0000  0.2614  1
]