data_AlTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTe2Ir
_chemical_formula_sum   'Al1 Te2 Ir1'
_cell_volume   81.54
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.53  0.0  0.59  1.0
  Te  Te3  1  0.0  0.53  0.59  1.0
  Ir  Ir1  1  0.53  0.53  0.0  1.0

data_AlTe2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTe2Ir
_chemical_formula_sum   'Al2 Te4 Ir2'
_cell_volume   163.08
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Te  Te1  4  0.27  0.27  0.59  1.0
  Ir  Ir2  2  0.03  0.5  -0.0  1.0

Al Te Te Ir
Al Te Te Ir 0 3 - - o 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 0 0 o o + 1 3 o - o 1 3 o - + 1 3 o o o 1 3 o o + 1 2 + - o 1 1 o o + 2 3 - o o 2 3 - o + 2 3 o o o 2 3 o o + 2 2 o o + 3 3 o o + 
IrAlTe2 crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 11-coordinate geometry to two equivalent Ir(1), one Al(1), and eight equivalent Te(1) atoms. Both Ir(1)-Ir(1) bond lengths are 3.18 Å. The Ir(1)-Al(1) bond length is 3.34 Å. There are a spread of Ir(1)-Te(1) bond distances ranging from 2.70-3.29 Å. Al(1) is bonded in a 6-coordinate geometry to one Ir(1) and six equivalent Te(1) atoms. There are a spread of Al(1)-Te(1) bond distances ranging from 2.70-3.01 Å. Te(1) is bonded in a 1-coordinate geometry to four equivalent Ir(1) and three equivalent Al(1) atoms.