data_[Au3Br4Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1611]
_cell_length_b [9.3526]
_cell_length_c [15.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.7716]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Au3Br4Cl]
_chemical_formula_sum '[Au3 Br4 Cl1]'
_cell_volume [1191.8653]
_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
[
  Au  Au0  1  0.2093  0.6366  0.4923  1
  Au  Au1  1  0.2732  0.3422  0.4970  1
  Au  Au2  1  0.3055  0.0396  0.5037  1
  Br  Br3  1  0.0499  0.8976  0.4917  1
  Br  Br4  1  0.4664  0.7938  0.5088  1
  Br  Br5  1  0.5331  0.2246  0.5162  1
  Br  Br6  1  0.7016  0.6250  0.5147  1
  Cl  Cl7  1  0.0161  0.4378  0.4757  1
]