data_YTlCoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlCoAg
_chemical_formula_sum   'Y1 Tl1 Co1 Ag1'
_cell_volume   80.78
_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
  Y  Y3  1  0.43  0.43  0.43  1.0
  Tl  Tl2  1  0.15  0.15  0.15  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.72  0.72  0.72  1.0

data_YTlCoAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTlCoAg
_chemical_formula_sum   'Y3 Tl3 Co3 Ag3'
_cell_volume   242.33
_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
  Y  Y0  3  0.0  0.0  0.57  1.0
  Tl  Tl1  3  0.0  0.0  0.85  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Ag  Ag3  3  0.0  0.0  0.28  1.0

Y Tl Co Ag
YCoAgTl crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to three equivalent Co(1), four equivalent Ag(1), and four equivalent Tl(1) atoms. All Y(1)-Co(1) bond lengths are 3.03 Å. There are three shorter (2.86 Å) and one longer (3.38 Å) Y(1)-Ag(1) bond length. There are three shorter (2.86 Å) and one longer (3.38 Å) Y(1)-Tl(1) bond length. Co(1) is bonded in a single-bond geometry to three equivalent Y(1), four equivalent Ag(1), and one Tl(1) atom. There are three shorter (2.86 Å) and one longer (3.38 Å) Co(1)-Ag(1) bond length. The Co(1)-Tl(1) bond length is 1.74 Å. Ag(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Co(1), and three equivalent Tl(1) atoms. All Ag(1)-Tl(1) bond lengths are 3.03 Å. Tl(1) is bonded in a single-bond geometry to four equivalent Y(1), one Co(1), and three equivalent Ag(1) atoms.