data_TeMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   132.5
_cell_angle_beta   132.5
_cell_angle_gamma   69.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Ir
_chemical_formula_sum   'Te1 Mo2 Ir1'
_cell_volume   66.66
_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
  Te  Te3  1  0.0  0.0  0.11  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.01  0.0  0.05  1.0
  Ir  Ir0  1  0.0  0.01  0.05  1.0

data_TeMo2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   124.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeMo2Ir
_chemical_formula_sum   'Te2 Mo4 Ir2'
_cell_volume   133.31
_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
  Te  Te0  2  0.39  0.5  0.89  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.45  0.5  0.96  1.0
  Ir  Ir3  2  0.45  0.5  0.96  1.0

Te Mo Mo Ir
Mo2IrTe is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2IrTe cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Mo(2) and one Ir(1) atom. The Mo(1)-Mo(2) bond length is 0.23 Å. The Mo(1)-Ir(1) bond length is 0.23 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Mo(1), one Ir(1), and one Te(1) atom. The Mo(2)-Ir(1) bond length is 0.08 Å. The Mo(2)-Te(1) bond length is 0.32 Å. Ir(1) is bonded in a single-bond geometry to one Mo(1), one Mo(2), and one Te(1) atom. The Ir(1)-Te(1) bond length is 0.32 Å. Te(1) is bonded in a 2-coordinate geometry to one Mo(2) and one Ir(1) atom.