data_CdCo2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.03
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Ag
_chemical_formula_sum   'Cd1 Co2 Ag1'
_cell_volume   60.96
_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  0.59  0.01  0.2  1.0
  Co  Co2  1  0.24  0.0  0.2  1.0
  Co  Co3  1  0.84  0.01  0.2  1.0
  Ag  Ag0  1  0.01  0.0  0.64  1.0

data_CdCo2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.03
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Ag
_chemical_formula_sum   'Cd1 Co2 Ag1'
_cell_volume   60.96
_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  0.59  0.01  0.2  1.0
  Co  Co1  1  0.24  0.0  0.2  1.0
  Co  Co2  1  0.84  0.01  0.2  1.0
  Ag  Ag3  1  0.01  0.0  0.64  1.0

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