data_NaCdAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdAg2
_chemical_formula_sum   'Na1 Cd1 Ag2'
_cell_volume   84.37
_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
  Na  Na3  1  0.0  0.0  0.72  1.0
  Cd  Cd2  1  0.55  0.55  0.19  1.0
  Ag  Ag0  1  0.55  0.55  0.2  1.0
  Ag  Ag1  1  0.0  0.0  0.12  1.0

data_NaCdAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCdAg2
_chemical_formula_sum   'Na2 Cd2 Ag4'
_cell_volume   168.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.72  1.0
  Cd  Cd1  2  0.05  0.5  0.19  1.0
  Ag  Ag2  2  0.0  0.0  0.12  1.0
  Ag  Ag3  2  0.05  0.5  0.2  1.0

Na Cd Ag Ag
Na Cd Ag Ag 0 0 + o o 0 0 o + o 0 3 o o + 1 2 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 