data_HfAgOsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgOsRu
_chemical_formula_sum   'Hf1 Ag1 Os1 Ru1'
_cell_volume   66.44
_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  0.82  0.82  0.82  1.0
  Ag  Ag0  1  0.21  0.21  0.21  1.0
  Os  Os2  1  0.61  0.61  0.61  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfAgOsRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAgOsRu
_chemical_formula_sum   'Hf3 Ag3 Os3 Ru3'
_cell_volume   199.31
_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  0.18  1.0
  Ag  Ag1  3  0.0  0.0  0.79  1.0
  Ru  Ru2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.39  1.0

Hf Ag Os Ru
Hf Ag Os Ru 0 2 o o o 0 2 o + o 0 2 + o o 0 2 o o + 0 3 + + + 0 1 + + o 0 1 + o + 0 1 o + + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o + + 2 3 + o + 2 3 + + o 
HfOsRuAg crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 2-coordinate geometry to one Os(1), one Ru(1), and three equivalent Ag(1) atoms. The Hf(1)-Os(1) bond length is 2.39 Å. The Hf(1)-Ru(1) bond length is 1.98 Å. All Hf(1)-Ag(1) bond lengths are 2.71 Å. Os(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Ag(1) atoms. All Os(1)-Ag(1) bond lengths are 2.71 Å. Ru(1) is bonded in a distorted single-bond geometry to one Hf(1) and four equivalent Ag(1) atoms. There is one shorter (2.39 Å) and three longer (2.94 Å) Ru(1)-Ag(1) bond lengths. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Hf(1), three equivalent Os(1), and four equivalent Ru(1) atoms.