data_HfGeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeOs2
_chemical_formula_sum   'Hf1 Ge1 Os2'
_cell_volume   65.11
_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  0.79  0.79  0.79  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.19  0.19  0.19  1.0
  Os  Os3  1  0.6  0.6  0.6  1.0

data_HfGeOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfGeOs2
_chemical_formula_sum   'Hf3 Ge3 Os6'
_cell_volume   195.32
_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  0.21  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.4  1.0
  Os  Os3  3  0.0  0.0  0.81  1.0

Hf Ge Os Os
Hf Ge Os Os 0 3 o o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 + + + 1 3 - - o 1 3 - o - 1 3 o - - 1 2 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
HfOs2Ge crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 11-coordinate geometry to three equivalent Os(1), four equivalent Os(2), and four equivalent Ge(1) atoms. All Hf(1)-Os(1) bond lengths are 2.72 Å. There is one shorter (2.13 Å) and three longer (3.03 Å) Hf(1)-Os(2) bond lengths. There is one shorter (2.33 Å) and three longer (2.94 Å) Hf(1)-Ge(1) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to three equivalent Hf(1) and one Ge(1) atom. The Os(1)-Ge(1) bond length is 2.13 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to four equivalent Hf(1) atoms. Ge(1) is bonded in a distorted linear geometry to four equivalent Hf(1) and one Os(1) atom.