data_ZrInIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInIr
_chemical_formula_sum   'Zr1 In1 Ir1'
_cell_volume   57.29
_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
  Zr  Zr2  1  0.0  0.0  0.01  1.0
  In  In0  1  1.0  0.69  0.47  1.0
  Ir  Ir1  1  0.33  0.34  0.58  1.0

data_ZrInIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInIr
_chemical_formula_sum   'Zr1 In1 Ir1'
_cell_volume   57.29
_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
  Zr  Zr0  1  0.01  0.0  0.0  1.0
  In  In1  1  0.47  1.0  0.69  1.0
  Ir  Ir2  1  0.58  0.33  0.34  1.0

Zr In Ir
Zr In Ir 0 1 - - - 0 1 - - o 0 2 o o - 0 2 o o o 
ZrIrIn crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent In(1) atoms. There is one shorter (2.05 Å) and one longer (2.32 Å) Zr(1)-Ir(1) bond length. There is one shorter (2.02 Å) and one longer (2.21 Å) Zr(1)-In(1) bond length. Ir(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent In(1) atoms. There is one shorter (2.72 Å) and one longer (2.74 Å) Ir(1)-In(1) bond length. In(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Ir(1) atoms.