data_HfGaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaPt
_chemical_formula_sum   'Hf6 Ga6 Pt6'
_cell_volume   315.34
_cell_formula_units_Z   6
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  0.55  0.4  0.77  1.0
  Hf  Hf1  1  0.73  0.07  0.3  1.0
  Hf  Hf2  1  0.3  0.55  0.3  1.0
  Hf  Hf3  1  0.97  0.82  0.3  1.0
  Hf  Hf4  1  0.89  0.67  0.77  1.0
  Hf  Hf5  1  0.32  0.15  0.77  1.0
  Ga  Ga6  1  0.92  0.0  0.0  1.0
  Ga  Ga7  1  0.92  0.0  0.53  1.0
  Ga  Ga8  1  0.04  0.67  0.53  1.0
  Ga  Ga9  1  0.04  0.67  0.0  1.0
  Ga  Ga10  1  0.63  0.55  0.0  1.0
  Ga  Ga11  1  0.63  0.55  0.53  1.0
  Pt  Pt12  1  0.59  0.07  0.76  1.0
  Pt  Pt13  1  0.0  0.0  0.3  1.0
  Pt  Pt14  1  0.59  0.07  0.84  1.0
  Pt  Pt15  1  0.0  0.14  0.23  1.0
  Pt  Pt16  1  0.0  0.14  0.3  1.0
  Pt  Pt17  1  0.0  0.0  0.77  1.0

data_HfGaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.07
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaPt
_chemical_formula_sum   'Hf6 Ga6 Pt6'
_cell_volume   315.34
_cell_formula_units_Z   6
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  0.3  0.3  0.55  1.0
  Hf  Hf1  1  0.3  0.73  0.07  1.0
  Hf  Hf2  1  0.3  0.97  0.82  1.0
  Hf  Hf3  1  0.77  0.32  0.15  1.0
  Hf  Hf4  1  0.77  0.55  0.4  1.0
  Hf  Hf5  1  0.77  0.89  0.67  1.0
  Ga  Ga6  1  -0.0  0.92  0.0  1.0
  Ga  Ga7  1  -0.0  0.63  0.55  1.0
  Ga  Ga8  1  0.0  0.04  0.67  1.0
  Ga  Ga9  1  0.53  0.04  0.67  1.0
  Ga  Ga10  1  0.53  0.63  0.55  1.0
  Ga  Ga11  1  0.53  0.92  0.0  1.0
  Pt  Pt12  1  0.23  -0.0  0.14  1.0
  Pt  Pt13  1  0.3  0.0  0.0  1.0
  Pt  Pt14  1  0.3  -0.0  0.14  1.0
  Pt  Pt15  1  0.76  0.59  0.07  1.0
  Pt  Pt16  1  0.77  0.0  0.0  1.0
  Pt  Pt17  1  0.84  0.59  0.07  1.0

Hf Hf Hf Hf Hf Hf Ga Ga Ga Ga Ga Ga Pt Pt Pt Pt Pt Pt
HfPtGa crystallizes in the triclinic P1 space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to one Hf(5), one Hf(6), one Pt(1), one Pt(3), one Ga(5), and one Ga(6) atom. The Hf(1)-Hf(5) bond length is 2.21 Å. The Hf(1)-Hf(6) bond length is 1.74 Å. The Hf(1)-Pt(1) bond length is 2.48 Å. The Hf(1)-Pt(3) bond length is 2.53 Å. The Hf(1)-Ga(5) bond length is 1.90 Å. The Hf(1)-Ga(6) bond length is 1.90 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one Pt(4) and one Pt(5) atom. The Hf(2)-Pt(4) bond length is 1.78 Å. The Hf(2)-Pt(5) bond length is 1.71 Å. In the third Hf site, Hf(3) is bonded in a 6-coordinate geometry to one Pt(4), one Pt(5), one Ga(3), one Ga(4), one Ga(5), and one Ga(6) atom. The Hf(3)-Pt(4) bond length is 2.64 Å. The Hf(3)-Pt(5) bond length is 2.60 Å. The Hf(3)-Ga(3) bond length is 2.93 Å. The Hf(3)-Ga(4) bond length is 3.22 Å. The Hf(3)-Ga(5) bond length is 3.15 Å. The Hf(3)-Ga(6) bond length is 2.86 Å. In the fourth Hf site, Hf(4) is bonded in a distorted single-bond geometry to one Pt(2) and one Ga(3) atom. The Hf(4)-Pt(2) bond length is 1.21 Å. The Hf(4)-Ga(3) bond length is 2.18 Å. In the fifth Hf site, Hf(5) is bonded in a 3-coordinate geometry to one Hf(1), one Pt(6), one Ga(3), and one Ga(4) atom. The Hf(5)-Pt(6) bond length is 2.09 Å. The Hf(5)-Ga(3) bond length is 1.97 Å. The Hf(5)-Ga(4) bond length is 1.97 Å. In the sixth Hf site, Hf(6) is bonded in a 1-coordinate geometry to one Hf(1) and one Pt(6) atom. The Hf(6)-Pt(6) bond length is 2.01 Å. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Pt(3) atom. The Pt(1)-Pt(3) bond length is 0.51 Å. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Hf(4) and one Ga(2) atom. The Pt(2)-Ga(2) bond length is 1.74 Å. In the third Pt site, Pt(3) is bonded in a distorted single-bond geometry to one Hf(1) and one Pt(1) atom. In the fourth Pt site, Pt(4) is bonded in a distorted single-bond geometry to one Hf(2), one Hf(3), one Pt(5), and one Ga(1) atom. The Pt(4)-Pt(5) bond length is 0.51 Å. The Pt(4)-Ga(1) bond length is 1.86 Å. In the fifth Pt site, Pt(5) is bonded in a distorted single-bond geometry to one Hf(2), one Hf(3), and one Pt(4) atom. In the sixth Pt site, Pt(6) is bonded in a tetrahedral geometry to one Hf(5), one Hf(6), one Ga(1), and one Ga(2) atom. The Pt(6)-Ga(1) bond length is 1.74 Å. The Pt(6)-Ga(2) bond length is 1.74 Å. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted bent 150 degrees geometry to one Pt(4) and one Pt(6) atom. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Pt(2) and one Pt(6) atom. In the third Ga site, Ga(3) is bonded in a 3-coordinate geometry to one Hf(3), one Hf(4), and one Hf(5) atom. In the fourth Ga site, Ga(4) is bonded in a 1-coordinate geometry to one Hf(3) and one Hf(5) atom. In the fifth Ga site, Ga(5) is bonded in a 1-coordinate geometry to one Hf(1) and one Hf(3) atom. In the sixth Ga site, Ga(6) is bonded in a 1-coordinate geometry to one Hf(1) and one Hf(3) atom.