data_Y2HfAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   130.22
_cell_angle_beta   130.22
_cell_angle_gamma   73.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfAg
_chemical_formula_sum   'Y2 Hf1 Ag1'
_cell_volume   101.03
_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
  Y  Y2  1  0.0  0.36  0.26  1.0
  Y  Y3  1  0.36  0.0  0.26  1.0
  Hf  Hf1  1  0.0  0.0  0.52  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Y2HfAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   126.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2HfAg
_chemical_formula_sum   'Y4 Hf2 Ag2'
_cell_volume   202.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  4  0.32  0.32  0.89  1.0
  Hf  Hf1  2  0.0  0.0  0.52  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0

Y Y Hf Ag
Y2HfAg crystallizes in the monoclinic Cm space group. Y(1) is bonded in a single-bond geometry to one Hf(1) and one Ag(1) atom. The Y(1)-Hf(1) bond length is 2.86 Å. The Y(1)-Ag(1) bond length is 1.57 Å. Hf(1) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Ag(1) atoms. There is one shorter (2.72 Å) and one longer (2.90 Å) Hf(1)-Ag(1) bond length. Ag(1) is bonded in a distorted water-like geometry to two equivalent Y(1) and two equivalent Hf(1) atoms.