data_CuSnHgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnHgGe
_chemical_formula_sum   'Cu1 Sn1 Hg1 Ge1'
_cell_volume   83.96
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.48  0.48  0.48  1.0
  Hg  Hg2  1  0.74  0.74  0.74  1.0
  Ge  Ge1  1  0.21  0.21  0.21  1.0

data_CuSnHgGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuSnHgGe
_chemical_formula_sum   'Cu3 Sn3 Hg3 Ge3'
_cell_volume   251.88
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.52  1.0
  Hg  Hg2  3  0.0  0.0  0.26  1.0
  Ge  Ge3  3  0.0  0.0  0.79  1.0

Cu Sn Hg Ge
Cu Sn Hg Ge 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 - - - 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 1 2 o o o 2 3 o + + 2 3 + o + 2 3 + + o 
CuHgSnGe crystallizes in the trigonal R3m space group. Cu(1) is bonded in a 11-coordinate geometry to four equivalent Hg(1), three equivalent Sn(1), and four equivalent Ge(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Cu(1)-Hg(1) bond length. All Cu(1)-Sn(1) bond lengths are 3.31 Å. There is one shorter (2.57 Å) and three longer (3.19 Å) Cu(1)-Ge(1) bond lengths. Hg(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Sn(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Hg(1)-Sn(1) bond length. Sn(1) is bonded in a 11-coordinate geometry to three equivalent Cu(1), four equivalent Hg(1), and four equivalent Ge(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Sn(1)-Ge(1) bond length. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent Sn(1) atoms.