data_Cd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.82
_cell_length_b   11.82
_cell_length_c   11.82
_cell_angle_alpha   163.74
_cell_angle_beta   163.74
_cell_angle_gamma   23.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ag
_chemical_formula_sum   'Cd4 Ag2'
_cell_volume   129.37
_cell_formula_units_Z   2
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  0.67  0.0  0.09  1.0
  Cd  Cd3  1  0.67  0.0  0.49  1.0
  Cd  Cd4  1  0.0  0.0  0.88  1.0
  Cd  Cd5  1  0.0  0.0  0.28  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.67  0.79  1.0

data_Cd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   11.82
_cell_angle_alpha   98.13
_cell_angle_beta   98.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ag
_chemical_formula_sum   'Cd4 Ag2'
_cell_volume   129.37
_cell_formula_units_Z   2
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  0.09  0.42  0.42  1.0
  Cd  Cd1  1  0.28  0.28  0.28  1.0
  Cd  Cd2  1  0.49  0.82  0.82  1.0
  Cd  Cd3  1  0.88  0.88  0.88  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0
  Ag  Ag5  1  0.12  0.79  0.12  1.0

Cd Cd Cd Cd Ag Ag
Cd Cd Cd Cd Ag Ag 0 3 + o o 1 2 + o o 2 4 o o + 4 5 o - - 