data_La4ZnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4ZnHg
_chemical_formula_sum   'La4 Zn1 Hg1'
_cell_volume   191.66
_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
  La  La1  1  0.43  0.43  0.72  1.0
  La  La2  1  0.43  0.72  0.43  1.0
  La  La3  1  0.72  0.43  0.43  1.0
  La  La4  1  0.72  0.72  0.72  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.29  0.29  0.29  1.0

data_La4ZnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   15.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La4ZnHg
_chemical_formula_sum   'La12 Zn3 Hg3'
_cell_volume   574.99
_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
  La  La0  9  0.1  0.19  0.47  1.0
  La  La1  3  0.0  0.0  0.28  1.0
  Zn  Zn2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.71  1.0

La La La La Zn Hg
La La La La Zn Hg 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 0 4 + o + 0 4 o + + 0 4 o o + 0 5 o o + 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 1 4 + + o 1 4 o + + 1 4 o + o 1 5 o + o 2 3 o o o 2 3 o o - 2 3 o - o 2 4 + + o 2 4 + o + 2 4 + o o 2 5 + o o 3 5 o o + 3 5 o + o 3 5 + o o 3 4 o + + 3 4 + o + 3 4 + + o 3 4 + + + 4 5 - o o 4 5 o - o 4 5 o o - 4 5 o o o 
La4HgZn crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to two equivalent La(1), three equivalent La(2), and one Hg(1) atom. Both La(1)-La(1) bond lengths are 1.86 Å. There is one shorter (3.23 Å) and two longer (4.01 Å) La(1)-La(2) bond lengths. The La(1)-Hg(1) bond length is 3.04 Å. In the second La site, La(2) is bonded in a 15-coordinate geometry to nine equivalent La(1), three equivalent Hg(1), and three equivalent Zn(1) atoms. All La(2)-Hg(1) bond lengths are 4.05 Å. All La(2)-Zn(1) bond lengths are 3.83 Å. Hg(1) is bonded in a 3-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms. Zn(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent La(2) atoms.