data_LiLaNbHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaNbHg
_chemical_formula_sum   'Li1 La1 Nb1 Hg1'
_cell_volume   91.65
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.79  0.79  0.79  1.0
  Nb  Nb3  1  0.58  0.58  0.58  1.0
  Hg  Hg0  1  0.37  0.37  0.37  1.0

data_LiLaNbHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiLaNbHg
_chemical_formula_sum   'Li3 La3 Nb3 Hg3'
_cell_volume   274.96
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.21  1.0
  Nb  Nb2  3  0.0  0.0  0.42  1.0
  Hg  Hg3  3  0.0  0.0  0.63  1.0

Li La Nb Hg
LiLaNbHg crystallizes in the trigonal R3m space group. Li(1) is bonded in a 10-coordinate geometry to four equivalent La(1), three equivalent Nb(1), and three equivalent Hg(1) atoms. There is one shorter (2.61 Å) and three longer (3.29 Å) Li(1)-La(1) bond lengths. All Li(1)-Nb(1) bond lengths are 3.12 Å. All Li(1)-Hg(1) bond lengths are 2.95 Å. La(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), four equivalent Nb(1), and three equivalent Hg(1) atoms. There is one shorter (2.61 Å) and three longer (3.29 Å) La(1)-Nb(1) bond lengths. All La(1)-Hg(1) bond lengths are 3.12 Å. Nb(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent La(1), and four equivalent Hg(1) atoms. There is one shorter (2.61 Å) and three longer (3.29 Å) Nb(1)-Hg(1) bond lengths. Hg(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent La(1), and four equivalent Nb(1) atoms.