data_ScAl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   149.57
_cell_angle_beta   127.96
_cell_angle_gamma   61.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Pt
_chemical_formula_sum   'Sc1 Al2 Pt1'
_cell_volume   69.78
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.46  0.16  1.0
  Al  Al1  1  0.47  0.0  0.66  1.0
  Pt  Pt2  1  0.0  0.0  0.82  1.0

data_ScAl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.92
_cell_length_c   5.61
_cell_angle_alpha   116.02
_cell_angle_beta   105.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Pt
_chemical_formula_sum   'Sc1 Al2 Pt1'
_cell_volume   69.78
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.66  0.18  1.0
  Al  Al2  1  0.54  0.7  0.7  1.0
  Pt  Pt3  1  0.0  0.82  0.82  1.0

Sc Al Al Pt
ScPtAl2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to one Pt(1) and two equivalent Al(2) atoms. The Sc(1)-Pt(1) bond length is 1.01 Å. There is one shorter (2.34 Å) and one longer (2.93 Å) Sc(1)-Al(2) bond length. Pt(1) is bonded in a 3-coordinate geometry to one Sc(1), one Al(2), and two equivalent Al(1) atoms. The Pt(1)-Al(2) bond length is 2.51 Å. There is one shorter (1.34 Å) and one longer (1.87 Å) Pt(1)-Al(1) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Pt(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 2.83 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Sc(1), one Pt(1), one Al(1), and two equivalent Al(2) atoms. Both Al(2)-Al(2) bond lengths are 2.94 Å.