data_AsIrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   148.31
_cell_angle_beta   129.99
_cell_angle_gamma   60.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPt2
_chemical_formula_sum   'As1 Ir1 Pt2'
_cell_volume   62.52
_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  0.66  1.0
  Pt  Pt2  1  0.0  0.28  0.5  1.0
  Pt  Pt3  1  0.47  0.0  0.16  1.0

data_AsIrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.56
_cell_length_c   5.39
_cell_angle_alpha   115.0
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsIrPt2
_chemical_formula_sum   'As1 Ir1 Pt2'
_cell_volume   62.52
_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  0.66  0.66  1.0
  Pt  Pt2  1  0.0  0.16  0.69  1.0
  Pt  Pt3  1  0.72  0.22  0.22  1.0

As Ir Pt Pt
IrPt2As crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 4-coordinate geometry to one Pt(1), two equivalent Pt(2), and one As(1) atom. The Ir(1)-Pt(1) bond length is 2.29 Å. There is one shorter (2.22 Å) and one longer (2.34 Å) Ir(1)-Pt(2) bond length. The Ir(1)-As(1) bond length is 1.84 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to one Ir(1) and two equivalent As(1) atoms. There is one shorter (1.61 Å) and one longer (2.13 Å) Pt(1)-As(1) bond length. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to two equivalent Ir(1) and one As(1) atom. The Pt(2)-As(1) bond length is 2.09 Å. As(1) is bonded in a 4-coordinate geometry to one Ir(1), one Pt(2), and two equivalent Pt(1) atoms.