data_Zr2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2IrPt
_chemical_formula_sum   'Zr2 Ir1 Pt1'
_cell_volume   74.23
_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  0.65  0.65  0.18  1.0
  Zr  Zr3  1  0.65  0.65  0.67  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.42  1.0

data_Zr2IrPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2IrPt
_chemical_formula_sum   'Zr4 Ir2 Pt2'
_cell_volume   148.46
_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
  Zr  Zr0  2  0.15  0.5  0.18  1.0
  Zr  Zr1  2  0.15  0.5  0.67  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.42  1.0

Zr Zr Ir Pt
Zr Zr Ir Pt 0 2 + + o 0 3 + + o 0 3 + o o 0 3 o + o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o + + 1 2 + o + 1 2 + + + 1 1 + o o 1 1 o + o 2 3 o o o 
Zr2IrPt crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zr2IrPt clusters. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Pt(1) atom. The Zr(1)-Ir(1) bond length is 2.04 Å. The Zr(1)-Pt(1) bond length is 2.37 Å. In the second Zr site, Zr(2) is bonded in a 1-coordinate geometry to one Pt(1) atom. The Zr(2)-Pt(1) bond length is 2.37 Å. Ir(1) is bonded in a distorted single-bond geometry to one Zr(1) atom. Pt(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Zr(2) atom.