data_TlReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.2
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   101.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlReSi2
_chemical_formula_sum   'Tl1 Re1 Si2'
_cell_volume   72.58
_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  0.77  0.0  0.7  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.56  0.6  0.3  1.0
  Si  Si2  1  0.99  0.6  0.09  1.0

data_TlReSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.2
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   101.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlReSi2
_chemical_formula_sum   'Tl1 Re1 Si2'
_cell_volume   72.58
_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  Tl0  1  0.77  0.0  0.7  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.56  0.6  0.3  1.0
  Si  Si3  1  0.99  0.6  0.09  1.0

Tl Re Si Si
ReTlSi2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent Si(2) atoms. The Re(1)-Tl(1) bond length is 2.25 Å. There is one shorter (1.45 Å) and one longer (2.04 Å) Re(1)-Si(2) bond length. Tl(1) is bonded in a distorted single-bond geometry to one Re(1) and one Si(1) atom. The Tl(1)-Si(1) bond length is 3.18 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent Si(2) atoms. There is one shorter (2.12 Å) and one longer (2.29 Å) Si(1)-Si(2) bond length. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to two equivalent Re(1) and two equivalent Si(1) atoms.