data_Hf2ScPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScPt
_chemical_formula_sum   'Hf2 Sc1 Pt1'
_cell_volume   81.59
_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  0.06  1.0
  Hf  Hf1  1  0.0  0.0  0.05  1.0
  Sc  Sc3  1  0.0  0.0  0.3  1.0
  Pt  Pt2  1  0.66  0.66  0.66  1.0

data_Hf2ScPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2ScPt
_chemical_formula_sum   'Hf4 Sc2 Pt2'
_cell_volume   163.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.05  1.0
  Hf  Hf1  2  0.16  0.5  0.06  1.0
  Sc  Sc2  2  0.0  0.0  0.3  1.0
  Pt  Pt3  2  0.16  0.5  0.66  1.0

Hf Hf Sc Pt
ScHf2Pt crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 2-coordinate geometry to one Hf(1), one Hf(2), and one Pt(1) atom. The Sc(1)-Hf(1) bond length is 2.38 Å. The Sc(1)-Hf(2) bond length is 1.92 Å. The Sc(1)-Pt(1) bond length is 3.05 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Sc(1), three equivalent Hf(2), and one Pt(1) atom. There is one shorter (1.59 Å) and two longer (2.48 Å) Hf(1)-Hf(2) bond lengths. The Hf(1)-Pt(1) bond length is 3.00 Å. In the second Hf site, Hf(2) is bonded in a distorted L-shaped geometry to one Sc(1) and three equivalent Hf(1) atoms. Pt(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Hf(1) atom.