data_[Ag4Au4Br12]
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 [P2_1/c]
_cell_length_a [7.7608]
_cell_length_b [7.3123]
_cell_length_c [12.4407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgAuBr3]
_chemical_formula_sum '[Ag4 Au4 Br12]'
_cell_volume [665.1534]
_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  0.1333  0.1498  0.6623  1.0
  Au  Au1  4  0.4484  0.6884  0.0000  1.0
  Br  Br2  4  0.0637  0.0349  0.2388  1.0
  Br  Br3  4  0.2131  0.6652  0.0888  1.0
  Br  Br4  4  0.3518  0.1547  0.0848  1.0
]