data_LaTlVHg
_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   LaTlVHg
_chemical_formula_sum   'La1 Tl1 V1 Hg1'
_cell_volume   98.89
_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  0.67  0.67  0.67  1.0
  Tl  Tl2  1  0.84  0.84  0.84  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.51  0.51  0.51  1.0

data_LaTlVHg
_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   LaTlVHg
_chemical_formula_sum   'La3 Tl3 V3 Hg3'
_cell_volume   296.68
_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  0.33  1.0
  Tl  Tl1  3  0.0  0.0  0.16  1.0
  V  V2  3  0.0  0.0  -0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.49  1.0

La Tl V Hg
LaVHgTl crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted linear geometry to three equivalent V(1), one Hg(1), and one Tl(1) atom. All La(1)-V(1) bond lengths are 3.00 Å. The La(1)-Hg(1) bond length is 2.10 Å. The La(1)-Tl(1) bond length is 2.10 Å. V(1) is bonded to three equivalent La(1) and one Tl(1) atom to form VLa3Tl trigonal pyramids that share corners with three equivalent Tl(1)LaVHg3 trigonal bipyramids and corners with six equivalent V(1)La3Tl trigonal pyramids. The V(1)-Tl(1) bond length is 2.10 Å. Hg(1) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Tl(1) atoms. All Hg(1)-Tl(1) bond lengths are 3.00 Å. Tl(1) is bonded to one La(1), one V(1), and three equivalent Hg(1) atoms to form distorted TlLaVHg3 trigonal bipyramids that share corners with six equivalent Tl(1)LaVHg3 trigonal bipyramids and corners with three equivalent V(1)La3Tl trigonal pyramids.