data_TlInCoBi
_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   TlInCoBi
_chemical_formula_sum   'Tl1 In1 Co1 Bi1'
_cell_volume   97.63
_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  Tl3  1  0.83  0.83  0.83  1.0
  In  In2  1  0.65  0.65  0.65  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.48  0.48  0.48  1.0

data_TlInCoBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlInCoBi
_chemical_formula_sum   'Tl3 In3 Co3 Bi3'
_cell_volume   292.88
_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  0.17  1.0
  In  In1  3  0.0  0.0  0.35  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.52  1.0

Tl In Co Bi
CoTlInBi crystallizes in the trigonal R3m space group. Co(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Co(1)-Tl(1) bond length is 2.19 Å. Tl(1) is bonded to one Co(1), one In(1), and three equivalent Bi(1) atoms to form distorted TlInCoBi3 trigonal bipyramids that share corners with six equivalent Tl(1)InCoBi3 trigonal bipyramids and  a cornercorner with one Bi(1)Tl3In trigonal pyramid. The Tl(1)-In(1) bond length is 2.19 Å. All Tl(1)-Bi(1) bond lengths are 2.99 Å. In(1) is bonded in a distorted linear geometry to one Tl(1) and one Bi(1) atom. The In(1)-Bi(1) bond length is 2.19 Å. Bi(1) is bonded to three equivalent Tl(1) and one In(1) atom to form distorted BiTl3In trigonal pyramids that share  a cornercorner with one Tl(1)InCoBi3 trigonal bipyramid and corners with six equivalent Bi(1)Tl3In trigonal pyramids.