data_SrLaHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaHg4
_chemical_formula_sum   'Sr1 La1 Hg4'
_cell_volume   165.19
_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
  Sr  Sr5  1  0.0  0.0  0.0  1.0
  La  La4  1  0.53  0.53  0.53  1.0
  Hg  Hg0  1  0.44  0.44  0.27  1.0
  Hg  Hg1  1  0.44  0.27  0.44  1.0
  Hg  Hg2  1  0.27  0.44  0.44  1.0
  Hg  Hg3  1  0.27  0.27  0.27  1.0

data_SrLaHg4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   15.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaHg4
_chemical_formula_sum   'Sr3 La3 Hg12'
_cell_volume   495.58
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.47  1.0
  Hg  Hg2  9  0.12  0.06  0.62  1.0
  Hg  Hg3  3  0.0  0.0  0.73  1.0

Sr La Hg Hg Hg Hg
Sr La Hg Hg Hg Hg 0 1 - - o 0 1 - o - 0 1 o - - 0 5 - o o 0 5 o - o 0 5 o o - 0 5 o o o 0 3 - o o 0 3 o o - 0 2 - o o 0 2 o - o 0 4 o - o 0 4 o o - 1 4 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
SrLaHg4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 13-coordinate geometry to three equivalent La(1), four equivalent Hg(2), and six equivalent Hg(1) atoms. All Sr(1)-La(1) bond lengths are 4.09 Å. There are three shorter (3.69 Å) and one longer (4.05 Å) Sr(1)-Hg(2) bond length. All Sr(1)-Hg(1) bond lengths are 3.38 Å. La(1) is bonded in a 6-coordinate geometry to three equivalent Sr(1), three equivalent Hg(1), and three equivalent Hg(2) atoms. All La(1)-Hg(1) bond lengths are 2.33 Å. All La(1)-Hg(2) bond lengths are 3.71 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(2) is bonded in a 10-coordinate geometry to four equivalent Sr(1), three equivalent La(1), and three equivalent Hg(1) atoms. All Hg(2)-Hg(1) bond lengths are 1.84 Å. In the second Hg site, Hg(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one La(1), one Hg(2), and two equivalent Hg(1) atoms. Both Hg(1)-Hg(1) bond lengths are 1.06 Å.