data_NiPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPIr2
_chemical_formula_sum   'Ni1 P1 Ir2'
_cell_volume   52.09
_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
  Ni  Ni2  1  0.75  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.38  0.67  0.42  1.0
  Ir  Ir1  1  0.38  0.33  0.42  1.0

data_NiPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPIr2
_chemical_formula_sum   'Ni1 P1 Ir2'
_cell_volume   52.09
_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
  Ni  Ni0  1  -0.0  0.75  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.42  0.38  0.33  1.0
  Ir  Ir3  1  0.42  0.38  0.67  1.0

Ni P Ir Ir
Ir2NiP crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to one Ir(2) and two equivalent Ni(1) atoms. The Ir(1)-Ir(2) bond length is 1.48 Å. There is one shorter (2.27 Å) and one longer (2.55 Å) Ir(1)-Ni(1) bond length. In the second Ir site, Ir(2) is bonded in a 5-coordinate geometry to one Ir(1), two equivalent Ni(1), and two equivalent P(1) atoms. There is one shorter (2.63 Å) and one longer (2.88 Å) Ir(2)-Ni(1) bond length. There is one shorter (2.27 Å) and one longer (2.55 Å) Ir(2)-P(1) bond length. Ni(1) is bonded in a distorted single-bond geometry to two equivalent Ir(1), two equivalent Ir(2), and one P(1) atom. The Ni(1)-P(1) bond length is 1.08 Å. P(1) is bonded in a single-bond geometry to two equivalent Ir(2) and one Ni(1) atom.