data_La4HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4HgRh
_chemical_formula_sum   'La4 Hg1 Rh1'
_cell_volume   176.87
_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  0.33  0.33  0.58  1.0
  La  La2  1  0.33  0.58  0.33  1.0
  La  La3  1  0.58  0.33  0.33  1.0
  La  La4  1  0.58  0.58  0.58  1.0
  Hg  Hg0  1  0.23  0.23  0.23  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0

data_La4HgRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   15.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La4HgRh
_chemical_formula_sum   'La12 Hg3 Rh3'
_cell_volume   530.62
_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  0.08  0.17  0.59  1.0
  La  La1  3  0.0  0.0  0.42  1.0
  Hg  Hg2  3  0.0  0.0  0.77  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

La La La La Hg Rh
La La La La Hg Rh 0 2 o o o 0 1 o o o 0 3 o o o 0 4 o o + 0 4 o o o 0 5 o o + 1 2 o o o 1 3 o o o 1 4 o + o 1 4 o o o 1 5 o + o 2 3 o o o 2 4 + o o 2 4 o o o 2 5 + o o 3 4 + o o 3 4 o + o 3 4 o o + 4 5 o o o 
La4RhHg crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(1), one Rh(1), and two equivalent Hg(1) atoms. The La(1)-La(2) bond length is 2.70 Å. Both La(1)-La(1) bond lengths are 1.56 Å. The La(1)-Rh(1) bond length is 3.01 Å. There is one shorter (3.01 Å) and one longer (3.55 Å) La(1)-Hg(1) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Rh(1), and three equivalent Hg(1) atoms. All La(2)-Rh(1) bond lengths are 3.88 Å. All La(2)-Hg(1) bond lengths are 3.65 Å. Rh(1) is bonded in a 3-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms. Hg(1) is bonded in a 9-coordinate geometry to three equivalent La(2) and six equivalent La(1) atoms.