data_PdAuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.34
_cell_length_c   3.19
_cell_angle_alpha   81.68
_cell_angle_beta   70.07
_cell_angle_gamma   28.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdAuCl
_chemical_formula_sum   'Pd1 Au1 Cl1'
_cell_volume   56.23
_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
  Pd  Pd2  1  0.71  0.69  0.98  1.0
  Au  Au0  1  0.71  0.69  0.1  1.0
  Cl  Cl1  1  0.71  0.69  0.32  1.0

data_PdAuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.42
_cell_length_b   12.2
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   122.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PdAuCl
_chemical_formula_sum   'Pd2 Au2 Cl2'
_cell_volume   112.46
_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
  Pd  Pd0  2  0.48  0.5  0.69  1.0
  Au  Au1  2  0.1  0.0  0.81  1.0
  Cl  Cl2  2  0.32  0.0  0.03  1.0

Pd Au Cl
Pd Au Cl 0 1 o o + 1 2 o o o 