data_CdAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAuCl2
_chemical_formula_sum   'Cd1 Au1 Cl2'
_cell_volume   104.75
_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  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.86  1.0
  Cl  Cl2  1  0.93  0.0  0.08  1.0
  Cl  Cl3  1  0.93  0.0  0.64  1.0

data_CdAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.01
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAuCl2
_chemical_formula_sum   'Cd1 Au1 Cl2'
_cell_volume   104.75
_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  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.86  1.0
  Cl  Cl2  1  0.0  0.93  0.08  1.0
  Cl  Cl3  1  0.0  0.93  0.64  1.0

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