data_CoTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.32
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2Ir
_chemical_formula_sum   'Co1 Te2 Ir1'
_cell_volume   73.0
_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  Te2  1  0.68  0.66  0.07  1.0
  Te  Te3  1  0.54  0.66  0.63  1.0
  Ir  Ir1  1  0.97  0.0  0.35  1.0

data_CoTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.32
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2Ir
_chemical_formula_sum   'Co1 Te2 Ir1'
_cell_volume   73.0
_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  Te1  1  0.54  0.66  0.63  1.0
  Te  Te2  1  0.68  0.66  0.07  1.0
  Ir  Ir3  1  0.97  0.0  0.35  1.0

Co Te Te Ir
IrCoTe2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 4-coordinate geometry to one Co(1), one Te(1), and four equivalent Te(2) atoms. The Ir(1)-Co(1) bond length is 2.35 Å. The Ir(1)-Te(1) bond length is 2.39 Å. There are a spread of Ir(1)-Te(2) bond distances ranging from 2.63-3.44 Å. Co(1) is bonded in a distorted single-bond geometry to one Ir(1), one Te(1), and two equivalent Te(2) atoms. The Co(1)-Te(1) bond length is 1.60 Å. There is one shorter (3.09 Å) and one longer (3.24 Å) Co(1)-Te(2) bond length. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Ir(1), one Co(1), and one Te(2) atom. The Te(1)-Te(2) bond length is 2.95 Å. In the second Te site, Te(2) is bonded in a 11-coordinate geometry to four equivalent Ir(1), two equivalent Co(1), one Te(1), and four equivalent Te(2) atoms. There are two shorter (3.28 Å) and two longer (3.32 Å) Te(2)-Te(2) bond lengths.