data_CdFeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeAg2
_chemical_formula_sum   'Cd1 Fe1 Ag2'
_cell_volume   69.65
_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  0.66  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.64  0.0  0.17  1.0
  Ag  Ag1  1  0.64  0.0  0.15  1.0

data_CdFeAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeAg2
_chemical_formula_sum   'Cd1 Fe1 Ag2'
_cell_volume   69.65
_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  0.66  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.64  0.0  0.15  1.0
  Ag  Ag3  1  0.64  0.0  0.17  1.0

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