data_NaLaAgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_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   100.4
_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  0.84  0.84  0.84  1.0
  Ag  Ag0  1  0.53  0.53  0.53  1.0
  Hg  Hg1  1  0.69  0.69  0.69  1.0

data_NaLaAgHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.78
_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   301.21
_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  0.16  1.0
  Ag  Ag2  3  0.0  0.0  0.47  1.0
  Hg  Hg3  3  0.0  0.0  0.31  1.0

Na La Ag Hg
NaLaAgHg crystallizes in the trigonal R3m space group. Na(1) is bonded to one La(1) and three equivalent Hg(1) atoms to form distorted NaLaHg3 trigonal pyramids that share  a cornercorner with one Hg(1)Na3LaAg trigonal bipyramid, corners with six equivalent Na(1)LaHg3 trigonal pyramids, and edges with three equivalent Ag(1)La3Hg trigonal pyramids. The Na(1)-La(1) bond length is 1.99 Å. All Na(1)-Hg(1) bond lengths are 3.03 Å. La(1) is bonded in a 5-coordinate geometry to one Na(1), three equivalent Ag(1), and one Hg(1) atom. All La(1)-Ag(1) bond lengths are 3.03 Å. The La(1)-Hg(1) bond length is 1.99 Å. Ag(1) is bonded to three equivalent La(1) and one Hg(1) atom to form AgLa3Hg trigonal pyramids that share corners with three equivalent Hg(1)Na3LaAg trigonal bipyramids, corners with six equivalent Ag(1)La3Hg trigonal pyramids, and edges with three equivalent Na(1)LaHg3 trigonal pyramids. The Ag(1)-Hg(1) bond length is 1.99 Å. Hg(1) is bonded to three equivalent Na(1), one La(1), and one Ag(1) atom to form distorted HgNa3LaAg trigonal bipyramids that share corners with six equivalent Hg(1)Na3LaAg trigonal bipyramids,  a cornercorner with one Na(1)LaHg3 trigonal pyramid, and corners with three equivalent Ag(1)La3Hg trigonal pyramids.