data_InNi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   18.93
_cell_angle_beta   18.93
_cell_angle_gamma   18.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2Ir
_chemical_formula_sum   'In1 Ni2 Ir1'
_cell_volume   57.33
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.95  1.0
  Ni  Ni3  1  0.0  0.0  0.21  1.0
  Ir  Ir1  1  0.0  0.0  0.58  1.0

data_InNi2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InNi2Ir
_chemical_formula_sum   'In2 Ni4 Ir2'
_cell_volume   114.65
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.05  1.0
  Ni  Ni2  2  0.0  0.0  0.79  1.0
  Ir  Ir3  2  0.0  0.0  0.42  1.0

In Ni Ni Ir
IrNi2In crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to six Ir(1,1); one Ni(1); and one Ni(2) atom to form a mixture of corner and edge-sharing IrNi2Ir6 hexagonal bipyramids. All Ir(1)-Ir(1,1) bond lengths are 2.81 Å. The Ir(1)-Ni(1) bond length is 3.19 Å. The Ir(1)-Ni(2) bond length is 3.19 Å. In the second Ir site, Ir(1) is bonded to six Ir(1,1); one Ni(1); and one Ni(2) atom to form a mixture of corner and edge-sharing IrNi2Ir6 hexagonal bipyramids. Both Ir(1)-Ir(1) bond lengths are 2.81 Å. The Ir(1)-Ni(1) bond length is 3.19 Å. The Ir(1)-Ni(2) bond length is 3.19 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Ir(1) and one In(1) atom. The Ni(1)-In(1) bond length is 0.40 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Ir(1) and one In(1) atom. The Ni(2)-In(1) bond length is 1.75 Å. In(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Ni(2) atom.