data_SrLiScHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiScHg
_chemical_formula_sum   'Sr1 Li1 Sc1 Hg1'
_cell_volume   96.29
_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
  Sr  Sr3  1  0.46  0.46  0.46  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.64  0.64  0.64  1.0
  Hg  Hg0  1  0.82  0.82  0.82  1.0

data_SrLiScHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLiScHg
_chemical_formula_sum   'Sr3 Li3 Sc3 Hg3'
_cell_volume   288.87
_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
  Sr  Sr0  3  0.0  0.0  0.54  1.0
  Li  Li1  3  0.0  0.0  0.0  1.0
  Sc  Sc2  3  0.0  0.0  0.36  1.0
  Hg  Hg3  3  0.0  0.0  0.18  1.0

Sr Li Sc Hg
LiSrScHg crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Li(1)-Hg(1) bond length is 2.28 Å. Sr(1) is bonded to one Sc(1) and three equivalent Hg(1) atoms to form distorted SrScHg3 trigonal pyramids that share  a cornercorner with one Hg(1)Sr3LiSc trigonal bipyramid and corners with six equivalent Sr(1)ScHg3 trigonal pyramids. The Sr(1)-Sc(1) bond length is 2.28 Å. All Sr(1)-Hg(1) bond lengths are 2.99 Å. Sc(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Hg(1) atom. The Sc(1)-Hg(1) bond length is 2.28 Å. Hg(1) is bonded to one Li(1), three equivalent Sr(1), and one Sc(1) atom to form distorted HgSr3LiSc trigonal bipyramids that share corners with six equivalent Hg(1)Sr3LiSc trigonal bipyramids and  a cornercorner with one Sr(1)ScHg3 trigonal pyramid.