data_Au4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   149.39
_cell_angle_beta   149.39
_cell_angle_gamma   43.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au4Cl
_chemical_formula_sum   'Au4 Cl1'
_cell_volume   106.45
_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  0.96  0.0  0.45  1.0
  Au  Au1  1  0.0  0.96  0.45  1.0
  Au  Au2  1  0.0  0.0  0.29  1.0
  Au  Au3  1  0.0  0.0  0.52  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0

data_Au4Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Au4Cl
_chemical_formula_sum   'Au8 Cl2'
_cell_volume   212.89
_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  0.47  0.02  0.49  1.0
  Au  Au1  2  0.02  0.5  0.52  1.0
  Au  Au2  2  0.29  0.0  0.29  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Au Au Au Au Cl
Au Au Au Au Cl 0 1 + - o 0 2 + o o 0 3 + o o 1 2 o + o 1 3 o + o 2 3 o o o 2 4 o o o 