data_NaLaAgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaAgHg
_chemical_formula_sum   'Na1 La1 Ag1 Hg1'
_cell_volume   98.79
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.5  0.5  0.5  1.0
  Ag  Ag0  1  0.67  0.67  0.67  1.0
  Hg  Hg1  1  0.83  0.83  0.83  1.0

data_NaLaAgHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaLaAgHg
_chemical_formula_sum   'Na3 La3 Ag3 Hg3'
_cell_volume   296.38
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.5  1.0
  Ag  Ag2  3  0.0  0.0  0.33  1.0
  Hg  Hg3  3  0.0  0.0  0.17  1.0

Na La Ag Hg
NaLaAgHg crystallizes in the trigonal R3m space group. Na(1) is bonded to three equivalent Ag(1) and one Hg(1) atom to form distorted NaAg3Hg trigonal pyramids that share  a cornercorner with one Ag(1)Na3LaHg trigonal bipyramid, corners with three equivalent Hg(1)NaLa3Ag trigonal bipyramids, corners with six equivalent Na(1)Ag3Hg trigonal pyramids, and edges with three equivalent La(1)AgHg3 trigonal pyramids. All Na(1)-Ag(1) bond lengths are 3.00 Å. The Na(1)-Hg(1) bond length is 2.10 Å. La(1) is bonded to one Ag(1) and three equivalent Hg(1) atoms to form distorted LaAgHg3 trigonal pyramids that share  a cornercorner with one Hg(1)NaLa3Ag trigonal bipyramid, corners with three equivalent Ag(1)Na3LaHg trigonal bipyramids, corners with six equivalent La(1)AgHg3 trigonal pyramids, and edges with three equivalent Na(1)Ag3Hg trigonal pyramids. The La(1)-Ag(1) bond length is 2.10 Å. All La(1)-Hg(1) bond lengths are 3.00 Å. Ag(1) is bonded to three equivalent Na(1), one La(1), and one Hg(1) atom to form distorted AgNa3LaHg trigonal bipyramids that share corners with six equivalent Ag(1)Na3LaHg trigonal bipyramids,  a cornercorner with one Na(1)Ag3Hg trigonal pyramid, corners with three equivalent La(1)AgHg3 trigonal pyramids, and edges with three equivalent Hg(1)NaLa3Ag trigonal bipyramids. The Ag(1)-Hg(1) bond length is 2.10 Å. Hg(1) is bonded to one Na(1), three equivalent La(1), and one Ag(1) atom to form distorted HgNaLa3Ag trigonal bipyramids that share corners with six equivalent Hg(1)NaLa3Ag trigonal bipyramids,  a cornercorner with one La(1)AgHg3 trigonal pyramid, corners with three equivalent Na(1)Ag3Hg trigonal pyramids, and edges with three equivalent Ag(1)Na3LaHg trigonal bipyramids.