data_SrLiScAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiScAu
_chemical_formula_sum   'Sr1 Li1 Sc1 Au1'
_cell_volume   97.94
_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  0.83  0.83  0.83  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.49  0.49  0.49  1.0
  Au  Au0  1  0.66  0.66  0.66  1.0

data_SrLiScAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLiScAu
_chemical_formula_sum   'Sr3 Li3 Sc3 Au3'
_cell_volume   293.81
_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  0.17  1.0
  Li  Li1  3  0.0  0.0  0.0  1.0
  Sc  Sc2  3  0.0  0.0  0.51  1.0
  Au  Au3  3  0.0  0.0  0.34  1.0

Sr Li Sc Au
Sr Li Sc Au 0 3 o o o 0 1 + + + 2 3 o o o 
LiSrScAu crystallizes in the trigonal R3m space group. Li(1) is bonded to one Sr(1) and three equivalent Au(1) atoms to form distorted LiSrAu3 trigonal pyramids that share  a cornercorner with one Au(1)SrLi3Sc trigonal bipyramid and corners with six equivalent Li(1)SrAu3 trigonal pyramids. The Li(1)-Sr(1) bond length is 2.16 Å. All Li(1)-Au(1) bond lengths are 2.99 Å. Sr(1) is bonded in a distorted single-bond geometry to one Li(1) and one Au(1) atom. The Sr(1)-Au(1) bond length is 2.16 Å. Sc(1) is bonded in a distorted single-bond geometry to one Au(1) atom. The Sc(1)-Au(1) bond length is 2.16 Å. Au(1) is bonded to three equivalent Li(1), one Sr(1), and one Sc(1) atom to form distorted AuSrLi3Sc trigonal bipyramids that share corners with six equivalent Au(1)SrLi3Sc trigonal bipyramids and  a cornercorner with one Li(1)SrAu3 trigonal pyramid.