data_[Ag1Au1Br2]
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 [Pm]
_cell_length_a [4.3703]
_cell_length_b [4.0237]
_cell_length_c [6.8702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AgAuBr2]
_chemical_formula_sum '[Ag1 Au1 Br2]'
_cell_volume [120.6659]
_cell_formula_units_Z [1]
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  1  0.7277  0.0000  0.4203  1.0
  Au  Au1  1  0.2258  0.5000  0.3312  1.0
  Br  Br2  1  0.0279  0.0000  0.0902  1.0
  Br  Br3  1  0.5186  0.5000  0.6584  1.0
]