data_[Ag18Au6Br36]
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 [R-3]
_cell_length_a [12.1249]
_cell_length_b [12.1249]
_cell_length_c [13.2250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ag3AuBr6]
_chemical_formula_sum '[Ag18 Au6 Br36]'
_cell_volume [1683.7770]
_cell_formula_units_Z [6]
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  18  0.0445  0.7601  0.6918  1.0
  Au  Au1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  3  0.0000  0.0000  0.5000  1.0
  Br  Br3  18  0.0043  0.8118  0.8875  1.0
  Br  Br4  18  0.0068  0.8219  0.3809  1.0
]