data_[Ag24S8Br8]
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 [Cmcm]
_cell_length_a [9.7686]
_cell_length_b [9.6457]
_cell_length_c [9.8133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ag3SBr]
_chemical_formula_sum '[Ag24 S8 Br8]'
_cell_volume [924.6624]
_cell_formula_units_Z [8]
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  0.0000  0.2125  0.5453  1.0
  Ag  Ag1  8  0.1689  0.5000  0.0000  1.0
  Ag  Ag2  8  0.2161  0.2011  0.2500  1.0
  S  S3  8  0.2500  0.2500  0.0000  1.0
  Br  Br4  4  0.0000  0.0008  0.7500  1.0
  Br  Br5  4  0.0000  0.4912  0.2500  1.0
]