data_SrLiTlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiTlAg
_chemical_formula_sum   'Sr1 Li1 Tl1 Ag1'
_cell_volume   100.59
_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  Sr2  1  0.54  0.54  0.54  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.85  0.85  0.85  1.0
  Ag  Ag0  1  0.69  0.69  0.69  1.0

data_SrLiTlAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLiTlAg
_chemical_formula_sum   'Sr3 Li3 Tl3 Ag3'
_cell_volume   301.76
_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  0.46  1.0
  Li  Li1  3  0.0  0.0  0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.15  1.0
  Ag  Ag3  3  0.0  0.0  0.31  1.0

Sr Li Tl Ag
LiSrAgTl crystallizes in the trigonal R3m space group. Li(1) is bonded to three equivalent Ag(1) and one Tl(1) atom to form distorted LiTlAg3 trigonal pyramids that share corners with three equivalent Tl(1)Sr3LiAg trigonal bipyramids and corners with six equivalent Li(1)TlAg3 trigonal pyramids. All Li(1)-Ag(1) bond lengths are 3.03 Å. The Li(1)-Tl(1) bond length is 1.97 Å. Sr(1) is bonded in a distorted single-bond geometry to one Ag(1) and three equivalent Tl(1) atoms. The Sr(1)-Ag(1) bond length is 1.97 Å. All Sr(1)-Tl(1) bond lengths are 3.03 Å. Ag(1) is bonded in a distorted linear geometry to three equivalent Li(1), one Sr(1), and one Tl(1) atom. The Ag(1)-Tl(1) bond length is 1.97 Å. Tl(1) is bonded to one Li(1), three equivalent Sr(1), and one Ag(1) atom to form distorted TlSr3LiAg trigonal bipyramids that share corners with six equivalent Tl(1)Sr3LiAg trigonal bipyramids and corners with three equivalent Li(1)TlAg3 trigonal pyramids.