data_Tl2CoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   8.86
_cell_angle_alpha   20.04
_cell_angle_beta   20.04
_cell_angle_gamma   20.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoRe
_chemical_formula_sum   'Tl2 Co1 Re1'
_cell_volume   71.31
_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  Tl2  1  0.0  0.0  0.37  1.0
  Tl  Tl3  1  0.0  0.0  0.66  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.01  1.0

data_Tl2CoRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CoRe
_chemical_formula_sum   'Tl4 Co2 Re2'
_cell_volume   142.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tl0  2  -0.0  0.0  0.34  1.0
  Tl  Tl1  2  0.0  0.0  0.63  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  0.0  0.0  0.99  1.0

Tl Tl Co Re
Tl Tl Co Re 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o + 1 2 o o + 2 3 o o o 
ReCoTl2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a single-bond geometry to one Co(1) and one Tl(1) atom. The Re(1)-Co(1) bond length is 0.11 Å. The Re(1)-Tl(1) bond length is 3.13 Å. Co(1) is bonded in a single-bond geometry to one Re(1) and one Tl(2) atom. The Co(1)-Tl(2) bond length is 3.02 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one Re(1), one Tl(2), and six equivalent Tl(1) atoms to form distorted TlTl7Re hexagonal bipyramids that share corners with six equivalent Tl(1)Tl7Re hexagonal bipyramids, edges with six equivalent Tl(2)Tl7Co hexagonal bipyramids, and edges with twelve equivalent Tl(1)Tl7Re hexagonal bipyramids. The Tl(1)-Tl(2) bond length is 2.59 Å. All Tl(1)-Tl(1) bond lengths are 3.08 Å. In the second Tl site, Tl(2) is bonded to one Co(1), one Tl(1), and six equivalent Tl(2) atoms to form distorted TlTl7Co hexagonal bipyramids that share corners with six equivalent Tl(2)Tl7Co hexagonal bipyramids, edges with six equivalent Tl(1)Tl7Re hexagonal bipyramids, and edges with twelve equivalent Tl(2)Tl7Co hexagonal bipyramids. All Tl(2)-Tl(2) bond lengths are 3.08 Å.