data_TiP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   142.02
_cell_angle_beta   142.02
_cell_angle_gamma   54.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiP2Ir
_chemical_formula_sum   'Ti1 P2 Ir1'
_cell_volume   56.78
_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
  Ti  Ti3  1  0.0  0.0  0.73  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.73  0.0  0.36  1.0
  Ir  Ir0  1  0.0  0.73  0.36  1.0

data_TiP2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   5.33
_cell_angle_alpha   108.99
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiP2Ir
_chemical_formula_sum   'Ti1 P2 Ir1'
_cell_volume   56.78
_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
  Ti  Ti0  1  0.27  0.0  0.27  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.64  0.0  0.37  1.0
  Ir  Ir3  1  0.37  0.73  0.37  1.0

Ti P P Ir
Ti P P Ir 0 2 - o o 0 3 o - o 0 1 o o + 2 3 + - o 
TiIrP2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiIrP2 cluster. Ti(1) is bonded in a 3-coordinate geometry to one Ir(1), one P(1), and one P(2) atom. The Ti(1)-Ir(1) bond length is 1.20 Å. The Ti(1)-P(1) bond length is 1.45 Å. The Ti(1)-P(2) bond length is 1.20 Å. Ir(1) is bonded in a distorted single-bond geometry to one Ti(1) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second P site, P(2) is bonded in a distorted single-bond geometry to one Ti(1) atom.