data_ScPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   131.67
_cell_angle_beta   131.67
_cell_angle_gamma   70.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPd2Pt
_chemical_formula_sum   'Sc1 Pd2 Pt1'
_cell_volume   65.72
_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
  Pd  Pd0  1  0.02  0.0  0.01  1.0
  Pd  Pd1  1  0.0  0.0  0.02  1.0
  Pt  Pt2  1  0.0  0.02  0.01  1.0

data_ScPd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.94
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPd2Pt
_chemical_formula_sum   'Sc1 Pd2 Pt1'
_cell_volume   65.72
_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
  Pd  Pd1  1  0.98  0.0  0.98  1.0
  Pd  Pd2  1  0.99  0.0  0.01  1.0
  Pt  Pt3  1  0.01  0.02  0.01  1.0

Sc Pd Pd Pt
Sc Pd Pd Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 
ScPtPd2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScPtPd2 cluster. Sc(1) is bonded in a distorted water-like geometry to one Pt(1), one Pd(1), and one Pd(2) atom. The Sc(1)-Pt(1) bond length is 0.08 Å. The Sc(1)-Pd(1) bond length is 0.08 Å. The Sc(1)-Pd(2) bond length is 0.12 Å. Pt(1) is bonded in a single-bond geometry to one Sc(1) atom. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Sc(1) atom. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Sc(1) atom.