data_Tl2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2IrW
_chemical_formula_sum   'Tl2 Ir1 W1'
_cell_volume   77.82
_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  Tl1  1  0.54  0.0  0.11  1.0
  Tl  Tl2  1  0.54  0.0  0.47  1.0
  Ir  Ir0  1  0.0  0.0  0.79  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Tl2IrW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.05
_cell_length_b   5.32
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2IrW
_chemical_formula_sum   'Tl4 Ir2 W2'
_cell_volume   155.65
_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  0.04  0.5  0.11  1.0
  Tl  Tl1  2  0.04  0.5  0.47  1.0
  Ir  Ir2  2  0.0  0.0  0.79  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Tl Tl Ir W
WIrTl2 crystallizes in the triclinic P1 space group. W(1) is bonded in a 3-coordinate geometry to one Ir(1) and two equivalent Tl(1) atoms. The W(1)-Ir(1) bond length is 2.01 Å. There is one shorter (1.74 Å) and one longer (1.94 Å) W(1)-Tl(1) bond length. Ir(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Tl(2) atoms. There is one shorter (3.34 Å) and one longer (3.45 Å) Ir(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted water-like geometry to two equivalent W(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 3.52 Å. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to two equivalent Ir(1), one Tl(1), and six equivalent Tl(2) atoms. There are four shorter (3.05 Å) and two longer (3.08 Å) Tl(2)-Tl(2) bond lengths.