data_AlCrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCrIr2
_chemical_formula_sum   'Al1 Cr1 Ir2'
_cell_volume   54.15
_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
  Cr  Cr1  1  0.0  0.0  0.48  1.0
  Ir  Ir2  1  0.39  0.39  0.21  1.0
  Ir  Ir3  1  0.39  0.39  0.76  1.0

data_AlCrIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCrIr2
_chemical_formula_sum   'Al2 Cr2 Ir4'
_cell_volume   108.31
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.48  1.0
  Ir  Ir2  2  0.39  0.0  0.21  1.0
  Ir  Ir3  2  0.39  0.0  0.76  1.0

Al Cr Ir Ir
CrIr2Al crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 12-coordinate geometry to four equivalent Cr(1), four equivalent Ir(1), and four equivalent Ir(2) atoms. All Cr(1)-Cr(1) bond lengths are 2.79 Å. There are a spread of Cr(1)-Ir(1) bond distances ranging from 2.45-3.05 Å. There are a spread of Cr(1)-Ir(2) bond distances ranging from 2.45-3.05 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to four equivalent Cr(1) and four equivalent Al(1) atoms. There are a spread of Ir(1)-Al(1) bond distances ranging from 2.14-2.81 Å. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to four equivalent Cr(1), four equivalent Ir(2), and four equivalent Al(1) atoms. All Ir(2)-Ir(2) bond lengths are 2.79 Å. There are a spread of Ir(2)-Al(1) bond distances ranging from 2.30-2.93 Å. Al(1) is bonded in a 8-coordinate geometry to four equivalent Ir(1) and four equivalent Ir(2) atoms.