data_TlIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIr2Cl
_chemical_formula_sum   'Tl1 Ir2 Cl1'
_cell_volume   70.61
_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  0.0  0.0  0.45  1.0
  Ir  Ir1  1  0.48  0.0  0.12  1.0
  Ir  Ir2  1  0.48  0.0  0.79  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.06
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIr2Cl
_chemical_formula_sum   'Tl1 Ir2 Cl1'
_cell_volume   70.61
_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  0.0  0.0  0.45  1.0
  Ir  Ir1  1  0.0  0.48  0.12  1.0
  Ir  Ir2  1  0.0  0.48  0.79  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Ir Ir Cl
Tl Ir Ir Cl 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 0 1 o o o 0 2 - o o 0 2 o o o 1 3 o o o 1 3 + o o 1 2 o o - 2 2 + + o 2 2 o + o 2 2 + o o 2 3 + + + 2 3 o o + 2 3 o - + 2 3 + o + 
Ir2TlCl crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a water-like geometry to two equivalent Tl(1) and two equivalent Cl(1) atoms. There is one shorter (3.29 Å) and one longer (3.36 Å) Ir(1)-Tl(1) bond length. There is one shorter (1.82 Å) and one longer (1.94 Å) Ir(1)-Cl(1) bond length. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to two equivalent Tl(1) and two equivalent Cl(1) atoms. There is one shorter (3.29 Å) and one longer (3.36 Å) Ir(2)-Tl(1) bond length. There is one shorter (2.41 Å) and one longer (2.50 Å) Ir(2)-Cl(1) bond length. Tl(1) is bonded in a 10-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), and six equivalent Tl(1) atoms. There are two shorter (2.95 Å) and four longer (3.06 Å) Tl(1)-Tl(1) bond lengths. Cl(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) and two equivalent Ir(2) atoms.