data_HfScTiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScTiPt
_chemical_formula_sum   'Hf1 Sc1 Ti1 Pt1'
_cell_volume   72.8
_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
  Hf  Hf0  1  0.66  0.66  0.66  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.31  0.31  0.31  1.0
  Pt  Pt1  1  0.97  0.97  0.97  1.0

data_HfScTiPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   11.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfScTiPt
_chemical_formula_sum   'Hf3 Sc3 Ti3 Pt3'
_cell_volume   218.4
_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
  Hf  Hf0  3  0.0  0.0  0.34  1.0
  Sc  Sc1  3  0.0  0.0  -0.0  1.0
  Ti  Ti2  3  0.0  0.0  0.69  1.0
  Pt  Pt3  3  0.0  0.0  0.03  1.0

Hf Sc Ti Pt
ScHfTiPt crystallizes in the trigonal R3m space group. Sc(1) is bonded in a single-bond geometry to three equivalent Hf(1), four equivalent Ti(1), and one Pt(1) atom. All Sc(1)-Hf(1) bond lengths are 2.71 Å. There are three shorter (2.71 Å) and one longer (3.61 Å) Sc(1)-Ti(1) bond length. The Sc(1)-Pt(1) bond length is 0.33 Å. Hf(1) is bonded in a 11-coordinate geometry to three equivalent Sc(1), four equivalent Ti(1), and four equivalent Pt(1) atoms. There are three shorter (2.71 Å) and one longer (3.94 Å) Hf(1)-Ti(1) bond length. There are three shorter (2.71 Å) and one longer (3.61 Å) Hf(1)-Pt(1) bond length. Ti(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), four equivalent Hf(1), and three equivalent Pt(1) atoms. All Ti(1)-Pt(1) bond lengths are 2.71 Å. Pt(1) is bonded in a single-bond geometry to one Sc(1), four equivalent Hf(1), and three equivalent Ti(1) atoms.