data_MgHgMoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHgMoPb
_chemical_formula_sum   'Mg1 Hg1 Mo1 Pb1'
_cell_volume   87.42
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.28  0.28  0.28  1.0
  Mo  Mo2  1  0.52  0.52  0.52  1.0
  Pb  Pb3  1  0.76  0.76  0.76  1.0

data_MgHgMoPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgHgMoPb
_chemical_formula_sum   'Mg3 Hg3 Mo3 Pb3'
_cell_volume   262.26
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.72  1.0
  Mo  Mo2  3  0.0  0.0  0.48  1.0
  Pb  Pb3  3  0.0  0.0  0.24  1.0

Mg Hg Mo Pb
Mg Hg Mo Pb 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
MgMoHgPb crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent Mo(1), four equivalent Hg(1), and four equivalent Pb(1) atoms. All Mg(1)-Mo(1) bond lengths are 3.37 Å. There are three shorter (2.94 Å) and one longer (3.46 Å) Mg(1)-Hg(1) bond length. There is one shorter (2.91 Å) and three longer (3.10 Å) Mg(1)-Pb(1) bond lengths. Mo(1) is bonded in a 11-coordinate geometry to three equivalent Mg(1), four equivalent Hg(1), and four equivalent Pb(1) atoms. There is one shorter (2.91 Å) and three longer (3.10 Å) Mo(1)-Hg(1) bond lengths. There is one shorter (2.91 Å) and three longer (3.10 Å) Mo(1)-Pb(1) bond lengths. Hg(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), four equivalent Mo(1), and three equivalent Pb(1) atoms. All Hg(1)-Pb(1) bond lengths are 3.37 Å. Pb(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), four equivalent Mo(1), and three equivalent Hg(1) atoms.