data_MgSnHgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnHgGe
_chemical_formula_sum   'Mg1 Sn1 Hg1 Ge1'
_cell_volume   94.18
_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  Mg2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.81  0.81  0.81  1.0
  Hg  Hg1  1  0.61  0.61  0.61  1.0
  Ge  Ge0  1  0.42  0.42  0.42  1.0

data_MgSnHgGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgSnHgGe
_chemical_formula_sum   'Mg3 Sn3 Hg3 Ge3'
_cell_volume   282.55
_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
  Sn  Sn1  3  0.0  0.0  0.19  1.0
  Hg  Hg2  3  0.0  0.0  0.39  1.0
  Ge  Ge3  3  0.0  0.0  0.58  1.0

Mg Sn Hg Ge
Mg Sn Hg Ge 0 1 - - - 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 3 + o o 1 3 o + o 1 3 o o + 2 3 o o o 
MgHgSnGe crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 1-coordinate geometry to three equivalent Hg(1), one Sn(1), and three equivalent Ge(1) atoms. All Mg(1)-Hg(1) bond lengths are 3.03 Å. The Mg(1)-Sn(1) bond length is 2.43 Å. All Mg(1)-Ge(1) bond lengths are 3.13 Å. Hg(1) is bonded to three equivalent Mg(1), one Sn(1), and one Ge(1) atom to form distorted corner-sharing HgMg3SnGe trigonal bipyramids. The Hg(1)-Sn(1) bond length is 2.43 Å. The Hg(1)-Ge(1) bond length is 2.43 Å. Sn(1) is bonded in a 2-coordinate geometry to one Mg(1), one Hg(1), and three equivalent Ge(1) atoms. All Sn(1)-Ge(1) bond lengths are 3.03 Å. Ge(1) is bonded in a 7-coordinate geometry to three equivalent Mg(1), one Hg(1), and three equivalent Sn(1) atoms.