data_MgZnHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnHgPb
_chemical_formula_sum   'Mg1 Zn1 Hg1 Pb1'
_cell_volume   96.2
_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
  Zn  Zn3  1  0.82  0.82  0.82  1.0
  Hg  Hg0  1  0.64  0.64  0.64  1.0
  Pb  Pb2  1  0.46  0.46  0.46  1.0

data_MgZnHgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgZnHgPb
_chemical_formula_sum   'Mg3 Zn3 Hg3 Pb3'
_cell_volume   288.59
_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
  Zn  Zn1  3  0.0  0.0  0.18  1.0
  Hg  Hg2  3  0.0  0.0  0.36  1.0
  Pb  Pb3  3  0.0  0.0  0.54  1.0

Mg Zn Hg Pb
Mg Zn Hg Pb 0 1 - - - 1 2 o o o 2 3 o o o 
MgHgZnPb crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent Hg(1), one Zn(1), and three equivalent Pb(1) atoms. All Mg(1)-Hg(1) bond lengths are 2.99 Å. The Mg(1)-Zn(1) bond length is 2.29 Å. All Mg(1)-Pb(1) bond lengths are 3.34 Å. Hg(1) is bonded to three equivalent Mg(1), one Zn(1), and one Pb(1) atom to form distorted HgMg3ZnPb trigonal bipyramids that share corners with six equivalent Hg(1)Mg3ZnPb trigonal bipyramids and edges with three equivalent Zn(1)MgHgPb3 trigonal bipyramids. The Hg(1)-Zn(1) bond length is 2.29 Å. The Hg(1)-Pb(1) bond length is 2.29 Å. Zn(1) is bonded to one Mg(1), one Hg(1), and three equivalent Pb(1) atoms to form distorted ZnMgHgPb3 trigonal bipyramids that share corners with six equivalent Zn(1)MgHgPb3 trigonal bipyramids and edges with three equivalent Hg(1)Mg3ZnPb trigonal bipyramids. All Zn(1)-Pb(1) bond lengths are 2.99 Å. Pb(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), one Hg(1), and three equivalent Zn(1) atoms.