data_CdAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.36
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAu2Cl
_chemical_formula_sum   'Cd1 Au2 Cl1'
_cell_volume   85.11
_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
  Cd  Cd2  1  0.7  0.18  0.0  1.0
  Au  Au0  1  0.0  0.18  0.87  1.0
  Au  Au1  1  0.7  0.0  0.87  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_CdAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.36
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAu2Cl
_chemical_formula_sum   'Cd1 Au2 Cl1'
_cell_volume   85.11
_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
  Cd  Cd0  1  0.7  0.18  -0.0  1.0
  Au  Au1  1  0.0  0.18  0.87  1.0
  Au  Au2  1  0.7  0.0  0.87  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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