data_ZrCr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   145.89
_cell_angle_beta   127.8
_cell_angle_gamma   63.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Ir
_chemical_formula_sum   'Zr1 Cr2 Ir1'
_cell_volume   59.29
_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  Zr3  1  0.0  0.0  0.6  1.0
  Cr  Cr0  1  0.51  0.0  0.25  1.0
  Cr  Cr1  1  0.0  0.0  0.98  1.0
  Ir  Ir2  1  0.51  0.0  0.24  1.0

data_ZrCr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.52
_cell_length_c   5.13
_cell_angle_alpha   116.1
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCr2Ir
_chemical_formula_sum   'Zr1 Cr2 Ir1'
_cell_volume   59.29
_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  0.4  0.4  0.4  1.0
  Cr  Cr1  1  0.02  0.02  0.02  1.0
  Cr  Cr2  1  0.26  0.75  0.26  1.0
  Ir  Ir3  1  0.26  0.76  0.26  1.0

Zr Cr Cr Ir
Zr Cr Cr Ir 0 3 - o o 0 1 - o o 0 2 o o o 1 3 o o o 1 2 o o - 2 3 o o + 
CrZrIrCr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one chromium;iridium molecule and one chromium;zirconium molecule.