data_Si2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPt
_chemical_formula_sum   'Si2 Ir1 Pt1'
_cell_volume   56.1
_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
  Si  Si2  1  0.41  0.34  0.5  1.0
  Si  Si3  1  0.41  0.66  0.5  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.81  0.0  0.0  1.0

data_Si2IrPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.35
_cell_length_b   3.01
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Si2IrPt
_chemical_formula_sum   'Si2 Ir1 Pt1'
_cell_volume   56.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Si  Si0  1  0.41  0.5  0.34  1.0
  Si  Si1  1  0.41  0.5  0.66  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.81  0.0  0.0  1.0

Si Si Ir Pt
IrPtSi2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a distorted single-bond geometry to one Pt(1), two equivalent Si(1), and two equivalent Si(2) atoms. The Ir(1)-Pt(1) bond length is 0.81 Å. There is one shorter (2.59 Å) and one longer (2.60 Å) Ir(1)-Si(1) bond length. There is one shorter (2.90 Å) and one longer (2.91 Å) Ir(1)-Si(2) bond length. Pt(1) is bonded in a distorted single-bond geometry to one Ir(1), two equivalent Si(1), and two equivalent Si(2) atoms. There is one shorter (2.90 Å) and one longer (2.91 Å) Pt(1)-Si(1) bond length. There is one shorter (2.59 Å) and one longer (2.60 Å) Pt(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), two equivalent Pt(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 1.38 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to two equivalent Ir(1), two equivalent Pt(1), and one Si(1) atom.