data_CdFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Ag
_chemical_formula_sum   'Cd1 Fe2 Ag1'
_cell_volume   63.11
_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  0.61  0.0  0.04  1.0
  Fe  Fe2  1  0.0  0.0  0.5  1.0
  Fe  Fe3  1  0.61  0.0  0.77  1.0
  Ag  Ag0  1  0.0  0.0  0.56  1.0

data_CdFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Ag
_chemical_formula_sum   'Cd1 Fe2 Ag1'
_cell_volume   63.11
_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  0.61  0.0  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.5  1.0
  Fe  Fe2  1  0.61  0.0  0.77  1.0
  Ag  Ag3  1  0.0  0.0  0.56  1.0

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