data_LiTlCuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlCuAg
_chemical_formula_sum   'Li1 Tl1 Cu1 Ag1'
_cell_volume   68.15
_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
  Tl  Tl3  1  0.62  0.62  0.62  1.0
  Cu  Cu1  1  0.24  0.24  0.24  1.0
  Ag  Ag0  1  0.86  0.86  0.86  1.0

data_LiTlCuAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiTlCuAg
_chemical_formula_sum   'Li3 Tl3 Cu3 Ag3'
_cell_volume   204.46
_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
  Tl  Tl1  3  0.0  0.0  0.38  1.0
  Cu  Cu2  3  0.0  0.0  0.76  1.0
  Ag  Ag3  3  0.0  0.0  0.14  1.0

Li Tl Cu Ag
Li Tl Cu Ag 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
LiAgCuTl crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to one Ag(1), four equivalent Cu(1), and three equivalent Tl(1) atoms. The Li(1)-Ag(1) bond length is 1.54 Å. There is one shorter (2.72 Å) and three longer (2.84 Å) Li(1)-Cu(1) bond lengths. All Li(1)-Tl(1) bond lengths are 2.70 Å. Ag(1) is bonded in a single-bond geometry to one Li(1), three equivalent Cu(1), and four equivalent Tl(1) atoms. All Ag(1)-Cu(1) bond lengths are 2.70 Å. There is one shorter (2.72 Å) and three longer (2.84 Å) Ag(1)-Tl(1) bond lengths. Cu(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), three equivalent Ag(1), and three equivalent Tl(1) atoms. All Cu(1)-Tl(1) bond lengths are 2.70 Å. Tl(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), four equivalent Ag(1), and three equivalent Cu(1) atoms.