data_Cd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   104.66
_cell_angle_beta   104.66
_cell_angle_gamma   119.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ag
_chemical_formula_sum   'Cd4 Ag2'
_cell_volume   130.25
_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  0.34  0.07  0.0  1.0
  Cd  Cd3  1  0.34  0.93  0.8  1.0
  Cd  Cd4  1  0.07  0.48  0.0  1.0
  Cd  Cd5  1  0.07  0.34  0.8  1.0
  Ag  Ag0  1  0.0  0.0  0.4  1.0
  Ag  Ag1  1  0.0  0.0  0.21  1.0

data_Cd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   104.66
_cell_angle_beta   104.66
_cell_angle_gamma   119.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ag
_chemical_formula_sum   'Cd4 Ag2'
_cell_volume   130.25
_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  0.47  0.87  0.8  1.0
  Cd  Cd1  1  0.66  0.93  -0.0  1.0
  Cd  Cd2  1  0.74  0.47  0.8  1.0
  Cd  Cd3  1  0.93  0.52  -0.0  1.0
  Ag  Ag4  1  0.21  0.21  0.21  1.0
  Ag  Ag5  1  0.4  0.4  0.4  1.0

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