data_AsIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   147.49
_cell_angle_beta   130.24
_cell_angle_gamma   60.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPd2
_chemical_formula_sum   'As1 Ir1 Pd2'
_cell_volume   61.04
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.59  1.0
  Pd  Pd2  1  0.0  0.24  0.55  1.0
  Pd  Pd3  1  0.49  0.0  0.04  1.0

data_AsIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.47
_cell_length_c   5.32
_cell_angle_alpha   114.88
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPd2
_chemical_formula_sum   'As1 Ir1 Pd2'
_cell_volume   61.04
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.41  0.41  0.41  1.0
  Pd  Pd2  1  0.45  0.96  0.45  1.0
  Pd  Pd3  1  0.45  0.69  0.69  1.0

As Ir Pd Pd
As Ir Pd Pd 0 2 o o o 0 2 o - - 0 3 o o o 0 1 o o - 1 2 o o o 1 3 o o + 1 3 - o o 2 3 - o o 
IrPd2As crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 1-coordinate geometry to one Pd(1), two equivalent Pd(2), and one As(1) atom. The Ir(1)-Pd(1) bond length is 1.44 Å. There is one shorter (2.11 Å) and one longer (2.37 Å) Ir(1)-Pd(2) bond length. The Ir(1)-As(1) bond length is 2.20 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Ir(1), one Pd(2), and two equivalent As(1) atoms. The Pd(1)-Pd(2) bond length is 2.10 Å. There is one shorter (1.97 Å) and one longer (2.41 Å) Pd(1)-As(1) bond length. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to two equivalent Ir(1), one Pd(1), two equivalent Pd(2), and two equivalent As(1) atoms. Both Pd(2)-Pd(2) bond lengths are 2.98 Å. There is one shorter (2.46 Å) and one longer (2.86 Å) Pd(2)-As(1) bond length. As(1) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Pd(1), and two equivalent Pd(2) atoms.