data_LaYAgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYAgHg
_chemical_formula_sum   'La1 Y1 Ag1 Hg1'
_cell_volume   101.37
_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  La2  1  0.85  0.85  0.85  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.55  0.55  0.55  1.0
  Hg  Hg1  1  0.7  0.7  0.7  1.0

data_LaYAgHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYAgHg
_chemical_formula_sum   'La3 Y3 Ag3 Hg3'
_cell_volume   304.11
_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  3  0.0  0.0  0.15  1.0
  Y  Y1  3  0.0  0.0  0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.45  1.0
  Hg  Hg3  3  0.0  0.0  0.3  1.0

La Y Ag Hg
LaYAgHg crystallizes in the trigonal R3m space group. La(1) is bonded in a 5-coordinate geometry to one Y(1), three equivalent Ag(1), and one Hg(1) atom. The La(1)-Y(1) bond length is 1.92 Å. All La(1)-Ag(1) bond lengths are 3.05 Å. The La(1)-Hg(1) bond length is 1.92 Å. Y(1) is bonded to one La(1) and three equivalent Hg(1) atoms to form distorted YLaHg3 trigonal pyramids that share corners with six equivalent Y(1)LaHg3 trigonal pyramids and edges with three equivalent Ag(1)La3Hg trigonal pyramids. All Y(1)-Hg(1) bond lengths are 3.05 Å. Ag(1) is bonded to three equivalent La(1) and one Hg(1) atom to form distorted AgLa3Hg trigonal pyramids that share corners with six equivalent Ag(1)La3Hg trigonal pyramids and edges with three equivalent Y(1)LaHg3 trigonal pyramids. The Ag(1)-Hg(1) bond length is 1.92 Å. Hg(1) is bonded in a 5-coordinate geometry to one La(1), three equivalent Y(1), and one Ag(1) atom.