data_ScNbPtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbPtPb
_chemical_formula_sum   'Sc1 Nb1 Pt1 Pb1'
_cell_volume   80.87
_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
  Nb  Nb0  1  0.72  0.72  0.72  1.0
  Pt  Pt2  1  0.43  0.43  0.43  1.0
  Pb  Pb1  1  0.15  0.15  0.15  1.0

data_ScNbPtPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScNbPtPb
_chemical_formula_sum   'Sc3 Nb3 Pt3 Pb3'
_cell_volume   242.62
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.28  1.0
  Pt  Pt2  3  0.0  0.0  0.57  1.0
  Pb  Pb3  3  0.0  0.0  0.85  1.0

Sc Nb Pt Pb
Sc Nb Pt Pb 0 3 o o o 0 1 o - - 0 1 - o - 0 1 - - o 0 1 - - - 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o + + 1 3 + o + 1 3 + + o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
ScNbPtPb crystallizes in the trigonal R3m space group. Sc(1) is bonded in a single-bond geometry to four equivalent Nb(1), three equivalent Pt(1), and one Pb(1) atom. There are three shorter (2.86 Å) and one longer (3.37 Å) Sc(1)-Nb(1) bond length. All Sc(1)-Pt(1) bond lengths are 3.04 Å. The Sc(1)-Pb(1) bond length is 1.77 Å. Nb(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), four equivalent Pt(1), and three equivalent Pb(1) atoms. There are three shorter (2.86 Å) and one longer (3.37 Å) Nb(1)-Pt(1) bond length. All Nb(1)-Pb(1) bond lengths are 3.04 Å. Pt(1) is bonded in a 11-coordinate geometry to three equivalent Sc(1), four equivalent Nb(1), and four equivalent Pb(1) atoms. There are three shorter (2.86 Å) and one longer (3.37 Å) Pt(1)-Pb(1) bond length. Pb(1) is bonded in a single-bond geometry to one Sc(1), three equivalent Nb(1), and four equivalent Pt(1) atoms.