data_[Ag12S4Br8]
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/c]
_cell_length_a [12.1528]
_cell_length_b [7.6534]
_cell_length_c [7.3969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag3SBr2]
_chemical_formula_sum '[Ag12 S4 Br8]'
_cell_volume [629.2647]
_cell_formula_units_Z [4]
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  8  0.1568  0.0465  0.1009  1.0
  Ag  Ag1  4  0.0000  0.3310  0.2500  1.0
  S  S2  4  0.0000  0.0093  0.2500  1.0
  Br  Br3  8  0.1664  0.4613  0.0402  1.0
]