data_Au3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   131.77
_cell_angle_beta   131.77
_cell_angle_gamma   70.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au3Cl
_chemical_formula_sum   'Au3 Cl1'
_cell_volume   75.88
_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  0.12  0.0  0.12  1.0
  Au  Au1  1  0.0  0.0  0.23  1.0
  Au  Au2  1  0.0  0.12  0.12  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_Au3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   125.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Au3Cl
_chemical_formula_sum   'Au6 Cl2'
_cell_volume   151.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.44  0.0  1.0
  Au  Au1  2  0.27  0.5  0.77  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Au Au Au Cl
Au Au Au Cl 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 