data_[Ag4Au4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3686]
_cell_length_b [4.5758]
_cell_length_c [12.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgAuBr4]
_chemical_formula_sum '[Ag4 Au4 Br16]'
_cell_volume [766.2344]
_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  4  0.0000  0.2536  0.2500  1.0
  Au  Au1  4  0.2500  0.2500  0.0000  1.0
  Br  Br2  8  0.0819  0.3220  0.9545  1.0
  Br  Br3  8  0.1771  0.0662  0.3027  1.0
]