data_GaPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   7.95
_cell_angle_alpha   21.13
_cell_angle_beta   21.13
_cell_angle_gamma   21.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPIr2
_chemical_formula_sum   'Ga1 P1 Ir2'
_cell_volume   57.18
_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
  Ga  Ga0  1  0.0  0.0  0.65  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.31  1.0
  Ir  Ir2  1  0.0  0.0  0.99  1.0

data_GaPIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.92
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   102.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPIr2
_chemical_formula_sum   'Ga2 P2 Ir4'
_cell_volume   114.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ga  Ga0  2  0.0  0.0  0.35  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.01  1.0
  Ir  Ir3  2  0.0  0.0  0.69  1.0

Ga P Ir Ir
Ir2GaP crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to six equivalent Ir(1), one Ga(1), and one P(1) atom. All Ir(1)-Ir(1) bond lengths are 2.92 Å. The Ir(1)-Ga(1) bond length is 2.69 Å. The Ir(1)-P(1) bond length is 2.50 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ga(1) and one P(1) atom. The Ir(2)-Ga(1) bond length is 2.69 Å. The Ir(2)-P(1) bond length is 0.07 Å. Ga(1) is bonded in a distorted linear geometry to one Ir(1) and one Ir(2) atom. P(1) is bonded in a single-bond geometry to one Ir(1) and one Ir(2) atom.