data_Zr2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.57
_cell_angle_alpha   99.0
_cell_angle_beta   99.0
_cell_angle_gamma   43.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AuCl
_chemical_formula_sum   'Zr2 Au1 Cl1'
_cell_volume   81.44
_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  0.14  0.0  0.96  1.0
  Zr  Zr3  1  0.7  0.0  0.51  1.0
  Au  Au0  1  0.42  0.0  0.24  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Zr2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.28
_cell_length_c   6.57
_cell_angle_alpha   99.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AuCl
_chemical_formula_sum   'Zr2 Au1 Cl1'
_cell_volume   81.44
_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  0.0  0.3  0.49  1.0
  Zr  Zr1  1  0.0  0.86  0.04  1.0
  Au  Au2  1  0.0  0.58  0.76  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr Au Cl
Zr2AuCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2AuCl cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Au(1) and one Cl(1) atom. The Zr(1)-Au(1) bond length is 2.00 Å. The Zr(1)-Cl(1) bond length is 0.66 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Au(1) atom. The Zr(2)-Au(1) bond length is 2.00 Å. Au(1) is bonded in a distorted linear geometry to one Zr(1) and one Zr(2) atom. Cl(1) is bonded in a single-bond geometry to one Zr(1) atom.