data_CdInAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInAg2
_chemical_formula_sum   'Cd1 In1 Ag2'
_cell_volume   82.49
_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  Cd2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.7  1.0
  Ag  Ag0  1  0.75  0.0  0.08  1.0
  Ag  Ag1  1  0.75  0.0  0.32  1.0

data_CdInAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInAg2
_chemical_formula_sum   'Cd1 In1 Ag2'
_cell_volume   82.49
_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
  In  In1  1  0.0  0.0  0.7  1.0
  Ag  Ag2  1  0.75  0.0  0.08  1.0
  Ag  Ag3  1  0.75  0.0  0.32  1.0

Cd In Ag Ag
Cd In Ag Ag 0 2 - o o 0 1 o o - 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 