data_TlCo4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo4Ag
_chemical_formula_sum   'Tl1 Co4 Ag1'
_cell_volume   85.11
_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
  Tl  Tl5  1  0.24  0.24  0.24  1.0
  Co  Co1  1  0.37  0.37  0.62  1.0
  Co  Co2  1  0.37  0.62  0.37  1.0
  Co  Co3  1  0.62  0.37  0.37  1.0
  Co  Co4  1  0.62  0.62  0.62  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_TlCo4Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   12.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCo4Ag
_chemical_formula_sum   'Tl3 Co12 Ag3'
_cell_volume   255.32
_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
  Tl  Tl0  3  0.0  0.0  0.76  1.0
  Co  Co1  9  0.08  0.17  0.55  1.0
  Co  Co2  3  0.0  0.0  0.38  1.0
  Ag  Ag3  3  0.0  0.0  -0.0  1.0

Tl Co Co Co Co Ag
Co4AgTl crystallizes in the trigonal R3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Co(2), two equivalent Co(1), one Ag(1), and two equivalent Tl(1) atoms. The Co(1)-Co(2) bond length is 2.15 Å. Both Co(1)-Co(1) bond lengths are 1.24 Å. The Co(1)-Ag(1) bond length is 2.55 Å. There is one shorter (2.59 Å) and one longer (2.67 Å) Co(1)-Tl(1) bond length. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Ag(1), and three equivalent Tl(1) atoms. All Co(2)-Ag(1) bond lengths are 2.91 Å. All Co(2)-Tl(1) bond lengths are 2.91 Å. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Co(1), three equivalent Co(2), and four equivalent Tl(1) atoms. There is one shorter (2.86 Å) and three longer (3.08 Å) Ag(1)-Tl(1) bond lengths. Tl(1) is bonded in a 13-coordinate geometry to three equivalent Co(2), six equivalent Co(1), and four equivalent Ag(1) atoms.