data_Hf4Pt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15
_cell_length_b   8.15
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Pt5
_chemical_formula_sum   'Hf8 Pt10'
_cell_volume   325.58
_cell_formula_units_Z   2
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  0.0  0.0  0.83  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.18  0.0  0.25  1.0
  Hf  Hf3  1  0.41  0.49  0.25  1.0
  Hf  Hf4  1  0.48  0.57  0.25  1.0
  Hf  Hf5  1  0.96  0.0  0.42  1.0
  Hf  Hf6  1  0.52  0.57  0.42  1.0
  Hf  Hf7  1  0.59  0.49  0.42  1.0
  Pt  Pt8  1  0.45  0.0  0.25  1.0
  Pt  Pt9  1  0.78  0.12  0.25  1.0
  Pt  Pt10  1  0.85  0.93  0.25  1.0
  Pt  Pt11  1  0.7  0.0  0.42  1.0
  Pt  Pt12  1  0.15  0.93  0.42  1.0
  Pt  Pt13  1  0.22  0.12  0.42  1.0
  Pt  Pt14  1  0.0  0.7  0.83  1.0
  Pt  Pt15  1  0.07  0.35  0.0  1.0
  Pt  Pt16  1  0.07  0.35  0.83  1.0
  Pt  Pt17  1  0.0  0.7  0.0  1.0

data_Hf4Pt5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.67
_cell_length_b   8.15
_cell_length_c   8.15
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Pt5
_chemical_formula_sum   'Hf8 Pt10'
_cell_volume   325.58
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.25  0.18  0.0  1.0
  Hf  Hf2  1  0.25  0.41  0.49  1.0
  Hf  Hf3  1  0.25  0.48  0.57  1.0
  Hf  Hf4  1  0.42  0.52  0.57  1.0
  Hf  Hf5  1  0.42  0.59  0.49  1.0
  Hf  Hf6  1  0.42  0.96  0.0  1.0
  Hf  Hf7  1  0.83  0.0  0.0  1.0
  Pt  Pt8  1  -0.0  0.07  0.35  1.0
  Pt  Pt9  1  -0.0  -0.0  0.7  1.0
  Pt  Pt10  1  0.25  0.45  0.0  1.0
  Pt  Pt11  1  0.25  0.78  0.12  1.0
  Pt  Pt12  1  0.25  0.85  0.93  1.0
  Pt  Pt13  1  0.42  0.15  0.93  1.0
  Pt  Pt14  1  0.42  0.22  0.12  1.0
  Pt  Pt15  1  0.42  0.7  0.0  1.0
  Pt  Pt16  1  0.83  -0.0  0.7  1.0
  Pt  Pt17  1  0.83  0.07  0.35  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Hf4Pt5 crystallizes in the triclinic P1 space group. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 3-coordinate geometry to one Hf(2), one Pt(4), one Pt(7), and one Pt(9) atom. The Hf(1)-Hf(2) bond length is 0.94 Å. The Hf(1)-Pt(4) bond length is 3.42 Å. The Hf(1)-Pt(7) bond length is 2.42 Å. The Hf(1)-Pt(9) bond length is 2.62 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Hf(1), one Pt(10), one Pt(3), and one Pt(8) atom. The Hf(2)-Pt(10) bond length is 2.42 Å. The Hf(2)-Pt(3) bond length is 1.78 Å. The Hf(2)-Pt(8) bond length is 2.62 Å. In the third Hf site, Hf(3) is bonded in a 2-coordinate geometry to one Pt(1), one Pt(10), one Pt(5), and one Pt(6) atom. The Hf(3)-Pt(1) bond length is 2.17 Å. The Hf(3)-Pt(10) bond length is 2.55 Å. The Hf(3)-Pt(5) bond length is 1.05 Å. The Hf(3)-Pt(6) bond length is 1.28 Å. In the fourth Hf site, Hf(4) is bonded in a 3-coordinate geometry to one Hf(5), one Pt(6), and one Pt(8) atom. The Hf(4)-Hf(5) bond length is 0.61 Å. The Hf(4)-Pt(6) bond length is 2.76 Å. The Hf(4)-Pt(8) bond length is 2.77 Å. In the fifth Hf site, Hf(5) is bonded in a distorted water-like geometry to one Hf(4), one Hf(7), and one Pt(4) atom. The Hf(5)-Hf(7) bond length is 0.99 Å. The Hf(5)-Pt(4) bond length is 3.20 Å. In the sixth Hf site, Hf(6) is bonded in a distorted single-bond geometry to one Pt(3) and one Pt(4) atom. The Hf(6)-Pt(3) bond length is 1.24 Å. The Hf(6)-Pt(4) bond length is 2.17 Å. In the seventh Hf site, Hf(7) is bonded in a distorted water-like geometry to one Hf(5), one Hf(8), and one Pt(4) atom. The Hf(7)-Hf(8) bond length is 1.06 Å. The Hf(7)-Pt(4) bond length is 3.08 Å. In the eighth Hf site, Hf(8) is bonded in a distorted single-bond geometry to one Hf(7) atom. There are ten inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Hf(3) and one Pt(4) atom. The Pt(1)-Pt(4) bond length is 2.23 Å. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Pt(4) atom. The Pt(2)-Pt(4) bond length is 1.28 Å. In the third Pt site, Pt(3) is bonded in a distorted water-like geometry to one Hf(2), one Hf(6), and one Pt(4) atom. The Pt(3)-Pt(4) bond length is 1.84 Å. In the fourth Pt site, Pt(4) is bonded in a 7-coordinate geometry to one Hf(1), one Hf(5), one Hf(6), one Hf(7), one Pt(1), one Pt(2), and one Pt(3) atom. In the fifth Pt site, Pt(5) is bonded in a single-bond geometry to one Hf(3) atom. In the sixth Pt site, Pt(6) is bonded in a 1-coordinate geometry to one Hf(3) and one Hf(4) atom. In the seventh Pt site, Pt(7) is bonded in a distorted L-shaped geometry to one Hf(1) and one Pt(10) atom. The Pt(7)-Pt(10) bond length is 0.94 Å. In the eighth Pt site, Pt(8) is bonded in a 3-coordinate geometry to one Hf(2), one Hf(4), and one Pt(9) atom. The Pt(8)-Pt(9) bond length is 0.94 Å. In the ninth Pt site, Pt(9) is bonded in a distorted L-shaped geometry to one Hf(1) and one Pt(8) atom. In the tenth Pt site, Pt(10) is bonded in a 3-coordinate geometry to one Hf(2), one Hf(3), and one Pt(7) atom.