data_HfCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ag
_chemical_formula_sum   'Hf1 Cd2 Ag1'
_cell_volume   83.16
_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
  Hf  Hf3  1  0.12  0.0  0.0  1.0
  Cd  Cd1  1  0.56  0.3  0.45  1.0
  Cd  Cd2  1  0.56  0.7  0.45  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   111.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ag
_chemical_formula_sum   'Hf1 Cd2 Ag1'
_cell_volume   83.16
_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
  Hf  Hf0  1  0.0  0.12  0.0  1.0
  Cd  Cd1  1  0.45  0.56  0.3  1.0
  Cd  Cd2  1  0.45  0.56  0.7  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Hf Cd Cd Ag
Hf Cd Cd Ag 0 3 o o o 0 1 o o o 1 2 o o o 2 3 + + o 
HfAgCd2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one Ag(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. The Hf(1)-Ag(1) bond length is 0.66 Å. There is one shorter (2.73 Å) and one longer (2.89 Å) Hf(1)-Cd(1) bond length. There is one shorter (3.68 Å) and one longer (3.80 Å) Hf(1)-Cd(2) bond length. Ag(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Cd(2) atoms. There is one shorter (2.73 Å) and one longer (2.89 Å) Ag(1)-Cd(2) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and two equivalent Cd(2) atoms. There is one shorter (2.21 Å) and one longer (3.35 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Ag(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(2)-Cd(2) bond lengths are 2.90 Å.