data_ScNbZnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbZnPt
_chemical_formula_sum   'Sc1 Nb1 Zn1 Pt1'
_cell_volume   67.96
_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  Sc2  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.62  0.62  0.62  1.0
  Zn  Zn3  1  0.24  0.24  0.24  1.0
  Pt  Pt1  1  0.86  0.86  0.86  1.0

data_ScNbZnPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScNbZnPt
_chemical_formula_sum   'Sc3 Nb3 Zn3 Pt3'
_cell_volume   203.88
_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  0.38  1.0
  Zn  Zn2  3  0.0  0.0  0.76  1.0
  Pt  Pt3  3  0.0  0.0  0.14  1.0

Sc Nb Zn Pt
Sc Nb Zn Pt 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
ScNbPtZn crystallizes in the trigonal R3m space group. Sc(1) is bonded in a single-bond geometry to three equivalent Nb(1), one Pt(1), and four equivalent Zn(1) atoms. All Sc(1)-Nb(1) bond lengths are 2.70 Å. The Sc(1)-Pt(1) bond length is 1.59 Å. There is one shorter (2.68 Å) and three longer (2.85 Å) Sc(1)-Zn(1) bond lengths. Nb(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), four equivalent Pt(1), and three equivalent Zn(1) atoms. There is one shorter (2.68 Å) and three longer (2.85 Å) Nb(1)-Pt(1) bond lengths. All Nb(1)-Zn(1) bond lengths are 2.70 Å. Pt(1) is bonded in a single-bond geometry to one Sc(1), four equivalent Nb(1), and three equivalent Zn(1) atoms. All Pt(1)-Zn(1) bond lengths are 2.70 Å. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), three equivalent Nb(1), and three equivalent Pt(1) atoms.