data_Hf2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuPt
_chemical_formula_sum   'Hf2 Cu1 Pt1'
_cell_volume   71.19
_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  Hf1  1  0.65  0.65  0.6  1.0
  Hf  Hf2  1  0.65  0.65  0.91  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.25  1.0

data_Hf2CuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CuPt
_chemical_formula_sum   'Hf4 Cu2 Pt2'
_cell_volume   142.39
_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  0.15  0.5  0.6  1.0
  Hf  Hf1  2  0.15  0.5  0.91  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.25  1.0

Hf Hf Cu Pt
Hf Hf Cu Pt 0 1 o o o 1 2 + + + 2 3 o o o 
Hf2PtCu crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to one Hf(2) and three equivalent Pt(1) atoms. The Hf(1)-Hf(2) bond length is 2.01 Å. There is one shorter (2.77 Å) and two longer (3.32 Å) Hf(1)-Pt(1) bond lengths. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Hf(1) and one Cu(1) atom. The Hf(2)-Cu(1) bond length is 1.73 Å. Pt(1) is bonded in a 1-coordinate geometry to three equivalent Hf(1) and one Cu(1) atom. The Pt(1)-Cu(1) bond length is 1.65 Å. Cu(1) is bonded in a 2-coordinate geometry to one Hf(2) and one Pt(1) atom.