data_Al2Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   69.83
_cell_angle_beta   69.83
_cell_angle_gamma   69.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Pt3
_chemical_formula_sum   'Al4 Pt6'
_cell_volume   156.58
_cell_formula_units_Z   2
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  0.43  1.0
  Al  Al1  1  0.0  0.0  0.77  1.0
  Al  Al2  1  0.0  0.0  0.03  1.0
  Al  Al3  1  0.0  0.0  0.37  1.0
  Pt  Pt4  1  0.63  0.34  0.47  1.0
  Pt  Pt5  1  0.89  0.78  0.47  1.0
  Pt  Pt6  1  0.48  0.88  0.47  1.0
  Pt  Pt7  1  0.52  0.12  0.33  1.0
  Pt  Pt8  1  0.11  0.22  0.33  1.0
  Pt  Pt9  1  0.37  0.66  0.33  1.0

data_Al2Pt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   69.83
_cell_angle_beta   69.83
_cell_angle_gamma   69.83
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Pt3
_chemical_formula_sum   'Al4 Pt6'
_cell_volume   156.58
_cell_formula_units_Z   2
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
  Al  Al0  2  0.0  0.0  0.13  1.0
  Al  Al1  2  0.0  0.0  0.47  1.0
  Pt  Pt2  2  0.12  0.52  0.43  1.0
  Pt  Pt3  2  0.22  0.11  0.43  1.0
  Pt  Pt4  2  0.34  0.63  0.57  1.0

Al Al Al Al Pt Pt Pt Pt Pt Pt
Pt3Al2 crystallizes in the triclinic P-1 space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 6-coordinate geometry to one Pt(1), one Pt(2), one Pt(3), one Al(2), and two equivalent Al(1) atoms. The Pt(1)-Pt(1) bond length is 2.00 Å. The Pt(1)-Pt(2) bond length is 2.49 Å. The Pt(1)-Pt(3) bond length is 2.04 Å. The Pt(1)-Al(2) bond length is 2.91 Å. There is one shorter (2.32 Å) and one longer (2.37 Å) Pt(1)-Al(1) bond length. In the second Pt site, Pt(2) is bonded in a 1-coordinate geometry to one Pt(1), one Al(1), and two equivalent Al(2) atoms. The Pt(2)-Al(1) bond length is 1.47 Å. There is one shorter (2.33 Å) and one longer (2.79 Å) Pt(2)-Al(2) bond length. In the third Pt site, Pt(3) is bonded in a 1-coordinate geometry to one Pt(1), one Pt(3), and one Al(2) atom. The Pt(3)-Pt(3) bond length is 1.37 Å. The Pt(3)-Al(2) bond length is 2.68 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Pt(2), two equivalent Pt(1), one Al(1), and one Al(2) atom. The Al(1)-Al(1) bond length is 0.36 Å. The Al(1)-Al(2) bond length is 1.91 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Pt(1), one Pt(3), two equivalent Pt(2), one Al(1), and one Al(2) atom. The Al(2)-Al(2) bond length is 1.49 Å.