data_ScPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   146.73
_cell_angle_beta   130.18
_cell_angle_gamma   61.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPIr2
_chemical_formula_sum   'Sc1 P1 Ir2'
_cell_volume   61.01
_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
  Sc  Sc3  1  0.0  0.22  0.06  1.0
  P  P2  1  0.0  0.0  0.37  1.0
  Ir  Ir0  1  0.0  0.0  0.08  1.0
  Ir  Ir1  1  0.51  0.0  0.58  1.0

data_ScPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.45
_cell_length_c   5.28
_cell_angle_alpha   114.91
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPIr2
_chemical_formula_sum   'Sc1 P1 Ir2'
_cell_volume   61.01
_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
  Sc  Sc0  1  0.78  0.84  0.84  1.0
  P  P1  1  0.0  0.37  0.37  1.0
  Ir  Ir2  1  0.0  0.08  0.08  1.0
  Ir  Ir3  1  0.0  0.58  0.07  1.0

Sc P Ir Ir
Sc P Ir Ir 0 2 o o o 0 3 - o - 1 2 o o o 1 3 o o o 2 3 o o o 2 3 - o - 
ScIr2P crystallizes in the triclinic P1 space group. Sc(1) is bonded in a distorted single-bond geometry to one Ir(1), one Ir(2), and two equivalent P(1) atoms. The Sc(1)-Ir(1) bond length is 1.24 Å. The Sc(1)-Ir(2) bond length is 1.99 Å. There is one shorter (2.76 Å) and one longer (2.89 Å) Sc(1)-P(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Sc(1) and one P(1) atom. The Ir(1)-P(1) bond length is 1.53 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Sc(1) and one P(1) atom. The Ir(2)-P(1) bond length is 2.16 Å. P(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Ir(1), and one Ir(2) atom.