data_Cd2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.58
_cell_angle_alpha   109.33
_cell_angle_beta   109.33
_cell_angle_gamma   47.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AuCl
_chemical_formula_sum   'Cd2 Au1 Cl1'
_cell_volume   95.7
_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  Cd1  1  0.41  0.0  0.39  1.0
  Cd  Cd2  1  0.61  0.0  0.75  1.0
  Au  Au0  1  0.01  0.0  0.07  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_Cd2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.59
_cell_length_c   6.58
_cell_angle_alpha   109.33
_cell_angle_beta   90.0
_cell_angle_gamma   113.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AuCl
_chemical_formula_sum   'Cd2 Au1 Cl1'
_cell_volume   95.7
_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  0.0  0.39  0.25  1.0
  Cd  Cd1  1  0.0  0.59  0.61  1.0
  Au  Au2  1  0.0  0.99  0.93  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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