data_AlSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   120.86
_cell_angle_beta   120.86
_cell_angle_gamma   88.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Ir
_chemical_formula_sum   'Al1 Sn2 Ir1'
_cell_volume   78.62
_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
  Sn  Sn2  1  0.0  0.38  0.73  1.0
  Sn  Sn3  1  0.38  0.0  0.73  1.0
  Ir  Ir1  1  0.0  0.0  0.46  1.0

data_AlSn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   134.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSn2Ir
_chemical_formula_sum   'Al2 Sn4 Ir2'
_cell_volume   157.24
_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
  Sn  Sn1  4  0.46  0.19  0.65  1.0
  Ir  Ir2  2  0.04  0.5  0.54  1.0

Al Sn Sn Ir
Al Sn Sn Ir 0 1 o o - 0 1 o - - 0 2 - o - 0 2 o o - 0 3 o o - 0 3 o o o 1 3 o o o 2 3 o o o 
IrAlSn2 crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 3-coordinate geometry to two equivalent Al(1) and two equivalent Sn(1) atoms. There is one shorter (2.22 Å) and one longer (2.61 Å) Ir(1)-Al(1) bond length. Both Ir(1)-Sn(1) bond lengths are 1.63 Å. Al(1) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Sn(1) atoms. There are two shorter (2.57 Å) and two longer (2.76 Å) Al(1)-Sn(1) bond lengths. Sn(1) is bonded in a distorted single-bond geometry to one Ir(1) and two equivalent Al(1) atoms.