data_HfHgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgMo2
_chemical_formula_sum   'Hf1 Hg1 Mo2'
_cell_volume   73.88
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.63  1.0
  Mo  Mo2  1  0.41  0.41  0.93  1.0
  Mo  Mo3  1  0.41  0.41  0.33  1.0

data_HfHgMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfHgMo2
_chemical_formula_sum   'Hf2 Hg2 Mo4'
_cell_volume   147.77
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.63  1.0
  Mo  Mo2  2  0.41  0.0  0.33  1.0
  Mo  Mo3  2  0.41  0.0  0.93  1.0

Hf Hg Mo Mo
Hf Hg Mo Mo 0 2 - o - 0 2 o - - 0 2 o o - 0 1 o o - 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 3 3 + o o 3 3 o + o 
HfMo2Hg crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1), four equivalent Mo(2), and one Hg(1) atom. There are a spread of Hf(1)-Mo(1) bond distances ranging from 1.76-2.43 Å. There are a spread of Hf(1)-Mo(2) bond distances ranging from 3.51-3.89 Å. The Hf(1)-Hg(1) bond length is 3.39 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to four equivalent Hf(1) and three equivalent Hg(1) atoms. There is one shorter (3.22 Å) and two longer (3.44 Å) Mo(1)-Hg(1) bond lengths. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to four equivalent Hf(1), four equivalent Mo(2), and three equivalent Hg(1) atoms. All Mo(2)-Mo(2) bond lengths are 2.82 Å. There is one shorter (3.22 Å) and two longer (3.44 Å) Mo(2)-Hg(1) bond lengths. Hg(1) is bonded in a 11-coordinate geometry to one Hf(1), three equivalent Mo(1), three equivalent Mo(2), and four equivalent Hg(1) atoms. All Hg(1)-Hg(1) bond lengths are 2.82 Å.