data_Mn2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   146.83
_cell_angle_beta   129.03
_cell_angle_gamma   62.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PIr
_chemical_formula_sum   'Mn2 P1 Ir1'
_cell_volume   47.25
_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
  Mn  Mn1  1  0.0  0.08  0.34  1.0
  Mn  Mn2  1  0.38  0.0  0.8  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.13  1.0

data_Mn2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.15
_cell_length_c   4.82
_cell_angle_alpha   115.49
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PIr
_chemical_formula_sum   'Mn2 P1 Ir1'
_cell_volume   47.25
_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
  Mn  Mn0  1  0.58  0.2  0.58  1.0
  Mn  Mn1  1  0.66  0.74  0.74  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.87  0.87  0.87  1.0

Mn Mn P Ir
Mn Mn P Ir 0 3 o o o 0 1 o o o 0 1 - o - 1 3 o o o 1 3 + o + 1 2 o o + 1 2 + o + 2 3 o o o 
Mn2IrP crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to two equivalent Mn(2) and one Ir(1) atom. There is one shorter (2.00 Å) and one longer (2.35 Å) Mn(1)-Mn(2) bond length. The Mn(1)-Ir(1) bond length is 0.71 Å. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), one Ir(1), and three equivalent P(1) atoms. Both Mn(2)-Mn(2) bond lengths are 2.75 Å. The Mn(2)-Ir(1) bond length is 2.35 Å. There are a spread of Mn(2)-P(1) bond distances ranging from 2.50-3.12 Å. Ir(1) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), and one P(1) atom. The Ir(1)-P(1) bond length is 0.64 Å. P(1) is bonded in a distorted single-bond geometry to three equivalent Mn(2) and one Ir(1) atom.