data_HfCrAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrAg3
_chemical_formula_sum   'Hf1 Cr1 Ag3'
_cell_volume   112.25
_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  Hf1  1  0.41  0.41  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.41  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.41  1.0
  Ag  Ag4  1  0.41  0.0  0.0  1.0

data_HfCrAg3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfCrAg3
_chemical_formula_sum   'Hf3 Cr3 Ag9'
_cell_volume   336.75
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.41  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Ag  Ag2  9  0.2  0.39  0.8  1.0

Hf Cr Ag Ag Ag
Hf Cr Ag Ag Ag 0 1 o o o 0 3 o o o 0 3 o + o 0 3 + o o 0 2 o o o 0 2 o o + 0 2 + o o 0 4 o o o 0 4 o o + 0 4 o + o 1 3 o o o 1 2 o o o 1 4 o o o 
HfCrAg3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 9-coordinate geometry to nine equivalent Ag(1) atoms. There are three shorter (2.81 Å) and six longer (3.46 Å) Hf(1)-Ag(1) bond lengths. Cr(1) is bonded to six equivalent Ag(1) atoms to form distorted corner-sharing CrAg6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (1.99 Å) and three longer (2.84 Å) Cr(1)-Ag(1) bond lengths. Ag(1) is bonded in a 1-coordinate geometry to three equivalent Hf(1) and two equivalent Cr(1) atoms.