data_CoTeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   19.09
_cell_angle_beta   19.09
_cell_angle_gamma   19.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeIr2
_chemical_formula_sum   'Co1 Te1 Ir2'
_cell_volume   64.73
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.02  1.0
  Ir  Ir1  1  0.0  0.0  0.7  1.0
  Ir  Ir2  1  0.0  0.0  0.34  1.0

data_CoTeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.93
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoTeIr2
_chemical_formula_sum   'Co2 Te2 Ir4'
_cell_volume   129.46
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.98  1.0
  Ir  Ir2  2  0.0  0.0  0.3  1.0
  Ir  Ir3  2  0.0  0.0  0.66  1.0

Co Te Ir Ir
Ir2CoTe crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(2) and one Co(1) atom. The Ir(1)-Ir(2) bond length is 3.18 Å. The Ir(1)-Co(1) bond length is 2.62 Å. In the second Ir site, Ir(2) is bonded to one Ir(1), six equivalent Ir(2), and one Te(1) atom to form a mixture of distorted edge and corner-sharing IrTeIr7 hexagonal bipyramids. All Ir(2)-Ir(2) bond lengths are 2.93 Å. The Ir(2)-Te(1) bond length is 2.84 Å. Co(1) is bonded in a single-bond geometry to one Ir(1) and one Te(1) atom. The Co(1)-Te(1) bond length is 0.21 Å. Te(1) is bonded in a single-bond geometry to one Ir(2) and one Co(1) atom.