data_[Au3Br2Cl1]
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 [Pm]
_cell_length_a [4.4123]
_cell_length_b [20.0129]
_cell_length_c [6.1110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Au3Br2Cl]
_chemical_formula_sum '[Au3 Br2 Cl1]'
_cell_volume [539.6101]
_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  2  0.1203  0.0720  0.6408  1
  Au  Au1  1  0.6608  0.0000  0.9079  1
  Br  Br2  2  0.7718  0.1252  0.9065  1
  Cl  Cl3  1  0.3520  0.0000  0.3747  1
]