data_SnHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Mo
_chemical_formula_sum   'Sn1 Hg2 Mo1'
_cell_volume   89.11
_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
  Sn  Sn3  1  0.32  0.32  0.32  1.0
  Hg  Hg0  1  0.55  0.55  0.55  1.0
  Hg  Hg1  1  0.77  0.77  0.77  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_SnHg2Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnHg2Mo
_chemical_formula_sum   'Sn3 Hg6 Mo3'
_cell_volume   267.32
_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
  Sn  Sn0  3  0.0  0.0  0.68  1.0
  Hg  Hg1  3  0.0  0.0  0.23  1.0
  Hg  Hg2  3  0.0  0.0  0.45  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

Sn Hg Hg Mo
MoHg2Sn crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 10-coordinate geometry to three equivalent Hg(1), four equivalent Hg(2), and three equivalent Sn(1) atoms. All Mo(1)-Hg(1) bond lengths are 3.26 Å. There is one shorter (2.79 Å) and three longer (3.17 Å) Mo(1)-Hg(2) bond lengths. All Mo(1)-Sn(1) bond lengths are 2.90 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 11-coordinate geometry to three equivalent Mo(1), four equivalent Hg(2), and four equivalent Sn(1) atoms. There is one shorter (2.79 Å) and three longer (3.17 Å) Hg(1)-Hg(2) bond lengths. There is one shorter (2.79 Å) and three longer (3.17 Å) Hg(1)-Sn(1) bond lengths. In the second Hg site, Hg(2) is bonded in a 11-coordinate geometry to four equivalent Mo(1), four equivalent Hg(1), and three equivalent Sn(1) atoms. All Hg(2)-Sn(1) bond lengths are 3.26 Å. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Hg(2), and four equivalent Hg(1) atoms.