data_Hf5(P2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   14.66
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5(P2Rh)2
_chemical_formula_sum   'Hf10 P8 Rh4'
_cell_volume   375.21
_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  0.65  0.33  0.0  1.0
  Hf  Hf2  1  0.77  0.78  0.0  1.0
  Hf  Hf3  1  0.54  0.87  0.0  1.0
  Hf  Hf4  1  0.12  0.54  0.0  1.0
  Hf  Hf5  1  0.19  0.11  0.0  1.0
  Hf  Hf6  1  0.32  0.21  0.0  1.0
  Hf  Hf7  1  0.99  0.45  0.0  1.0
  Hf  Hf8  1  0.67  0.12  0.0  1.0
  Hf  Hf9  1  0.64  0.53  0.0  1.0
  P  P10  1  0.9  0.21  0.75  1.0
  P  P11  1  0.41  0.45  0.75  1.0
  P  P12  1  0.24  0.77  0.75  1.0
  P  P13  1  0.06  0.88  0.75  1.0
  P  P14  1  0.38  0.47  0.75  1.0
  P  P15  1  0.92  0.19  0.75  1.0
  P  P16  1  0.73  0.52  0.75  1.0
  P  P17  1  0.58  0.14  0.75  1.0
  Rh  Rh18  1  0.15  0.33  0.75  1.0
  Rh  Rh19  1  0.16  0.32  0.75  1.0
  Rh  Rh20  1  0.5  0.99  0.75  1.0
  Rh  Rh21  1  0.81  0.66  0.75  1.0

data_Hf5(P2Rh)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   7.31
_cell_length_c   14.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5(P2Rh)2
_chemical_formula_sum   'Hf10 P8 Rh4'
_cell_volume   375.21
_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  0.0  0.54  0.87  1.0
  Hf  Hf2  1  0.0  0.12  0.54  1.0
  Hf  Hf3  1  0.0  0.64  0.53  1.0
  Hf  Hf4  1  0.0  0.65  0.33  1.0
  Hf  Hf5  1  0.0  0.67  0.12  1.0
  Hf  Hf6  1  0.0  0.19  0.11  1.0
  Hf  Hf7  1  0.0  0.77  0.78  1.0
  Hf  Hf8  1  0.0  0.32  0.21  1.0
  Hf  Hf9  1  0.0  0.99  0.45  1.0
  P  P10  1  0.75  0.06  0.88  1.0
  P  P11  1  0.75  0.24  0.77  1.0
  P  P12  1  0.75  0.38  0.47  1.0
  P  P13  1  0.75  0.41  0.45  1.0
  P  P14  1  0.75  0.58  0.14  1.0
  P  P15  1  0.75  0.73  0.52  1.0
  P  P16  1  0.75  0.9  0.21  1.0
  P  P17  1  0.75  0.92  0.19  1.0
  Rh  Rh18  1  0.75  0.15  0.33  1.0
  Rh  Rh19  1  0.75  0.16  0.32  1.0
  Rh  Rh20  1  0.75  0.5  0.99  1.0
  Rh  Rh21  1  0.75  0.81  0.66  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf P P P P P P P P Rh Rh Rh Rh
Hf5(RhP2)2 crystallizes in the triclinic P1 space group. There are nine inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Hf(6) and two equivalent P(4) atoms. The Hf(1)-Hf(6) bond length is 2.14 Å. There is one shorter (2.00 Å) and one longer (3.19 Å) Hf(1)-P(4) bond length. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one P(1) and one P(2) atom. The Hf(2)-P(1) bond length is 2.64 Å. The Hf(2)-P(2) bond length is 2.64 Å. In the third Hf site, Hf(3) is bonded in a 1-coordinate geometry to one Rh(4) and one P(4) atom. The Hf(3)-Rh(4) bond length is 2.03 Å. The Hf(3)-P(4) bond length is 2.71 Å. In the fourth Hf site, Hf(4) is bonded in a 1-coordinate geometry to one Rh(3) and one P(3) atom. The Hf(4)-Rh(3) bond length is 2.03 Å. The Hf(4)-P(3) bond length is 2.71 Å. In the fifth Hf site, Hf(5) is bonded in a 3-coordinate geometry to one Hf(8), one Rh(4), and one P(5) atom. The Hf(5)-Hf(8) bond length is 1.67 Å. The Hf(5)-Rh(4) bond length is 2.95 Å. The Hf(5)-P(5) bond length is 2.41 Å. In the sixth Hf site, Hf(6) is bonded in a 4-coordinate geometry to one Hf(1), one Hf(7), one Rh(3), and one P(6) atom. The Hf(6)-Hf(7) bond length is 1.67 Å. The Hf(6)-Rh(3) bond length is 2.95 Å. The Hf(6)-P(6) bond length is 2.41 Å. In the seventh Hf site, Hf(7) is bonded in a 3-coordinate geometry to one Hf(6), one Rh(2), and one P(8) atom. The Hf(7)-Rh(2) bond length is 2.25 Å. The Hf(7)-P(8) bond length is 2.28 Å. In the eighth Hf site, Hf(8) is bonded in a 3-coordinate geometry to one Hf(5), one Rh(1), and one P(7) atom. The Hf(8)-Rh(1) bond length is 2.25 Å. The Hf(8)-P(7) bond length is 2.28 Å. In the ninth Hf site, Hf(9,10) is bonded in a single-bond geometry to one P(8) atom. The Hf(9,10)-P(8) bond length is 1.12 Å. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted bent 150 degrees geometry to one Hf(8) and one Rh(2) atom. The Rh(1)-Rh(2) bond length is 0.16 Å. In the second Rh site, Rh(2) is bonded in a distorted bent 150 degrees geometry to one Hf(7) and one Rh(1) atom. In the third Rh site, Rh(3) is bonded in a distorted single-bond geometry to one Hf(4) and one Hf(6) atom. In the fourth Rh site, Rh(4) is bonded in a distorted single-bond geometry to one Hf(3) and one Hf(5) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one Hf(2) and one P(6) atom. The P(1)-P(6) bond length is 0.36 Å. In the second P site, P(2) is bonded in a distorted single-bond geometry to one Hf(2) and one P(5) atom. The P(2)-P(5) bond length is 0.36 Å. In the third P site, P(3) is bonded in a distorted L-shaped geometry to one Hf(4) and one P(4) atom. The P(3)-P(4) bond length is 2.06 Å. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Hf(3), two equivalent Hf(1), and one P(3) atom. In the fifth P site, P(5) is bonded in a distorted single-bond geometry to one Hf(5) and one P(2) atom. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one Hf(6) and one P(1) atom. In the seventh P site, P(7) is bonded in a distorted single-bond geometry to one Hf(8) and one Hf(9,10) atom. The P(7)-Hf(9,10) bond length is 1.12 Å. In the eighth P site, P(8) is bonded in a distorted single-bond geometry to one Hf(7) and one Hf(9,10) atom.