data_AgHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Mo
_chemical_formula_sum   'Ag1 Hg2 Mo1'
_cell_volume   75.76
_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
  Ag  Ag0  1  0.0  0.0  0.44  1.0
  Hg  Hg1  1  0.46  0.46  0.71  1.0
  Hg  Hg2  1  0.46  0.46  0.17  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_AgHg2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgHg2Mo
_chemical_formula_sum   'Ag2 Hg4 Mo2'
_cell_volume   151.52
_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
  Ag  Ag0  2  0.0  0.0  0.44  1.0
  Hg  Hg1  2  0.46  0.0  0.17  1.0
  Hg  Hg2  2  0.46  0.0  0.71  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Ag Hg Hg Mo
Ag Hg Hg Mo 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 1 + o o 1 1 o + o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
MoAgHg2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 12-coordinate geometry to four equivalent Mo(1), four equivalent Hg(1), and four equivalent Hg(2) atoms. All Mo(1)-Mo(1) bond lengths are 2.92 Å. There are a spread of Mo(1)-Hg(1) bond distances ranging from 3.18-3.39 Å. There are a spread of Mo(1)-Hg(2) bond distances ranging from 2.44-2.70 Å. Ag(1) is bonded to four equivalent Ag(1), four equivalent Hg(1), and four equivalent Hg(2) atoms to form AgAg4Hg8 cuboctahedra that share corners with four equivalent Ag(1)Ag4Hg8 cuboctahedra, edges with eight equivalent Hg(1)Ag4Hg4Mo4 cuboctahedra, faces with four equivalent Hg(1)Ag4Hg4Mo4 cuboctahedra, and faces with eight equivalent Ag(1)Ag4Hg8 cuboctahedra. All Ag(1)-Ag(1) bond lengths are 2.92 Å. There are a spread of Ag(1)-Hg(1) bond distances ranging from 3.06-3.28 Å. There are a spread of Ag(1)-Hg(2) bond distances ranging from 3.06-3.28 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Mo(1), four equivalent Ag(1), and four equivalent Hg(1) atoms to form HgAg4Hg4Mo4 cuboctahedra that share corners with four equivalent Hg(1)Ag4Hg4Mo4 cuboctahedra, edges with eight equivalent Ag(1)Ag4Hg8 cuboctahedra, faces with four equivalent Ag(1)Ag4Hg8 cuboctahedra, and faces with eight equivalent Hg(1)Ag4Hg4Mo4 cuboctahedra. All Hg(1)-Hg(1) bond lengths are 2.92 Å. In the second Hg site, Hg(2) is bonded in a 12-coordinate geometry to four equivalent Mo(1), four equivalent Ag(1), and four equivalent Hg(2) atoms. All Hg(2)-Hg(2) bond lengths are 2.92 Å.