data_ZrAlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlNi2
_chemical_formula_sum   'Zr1 Al1 Ni2'
_cell_volume   65.86
_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  0.23  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.98  0.05  1.0
  Ni  Ni2  1  0.72  0.99  0.42  1.0

data_ZrAlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlNi2
_chemical_formula_sum   'Zr1 Al1 Ni2'
_cell_volume   65.86
_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  0.0  0.23  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.98  0.05  1.0
  Ni  Ni3  1  0.72  0.99  0.42  1.0

Zr Al Ni Ni
AlNi2Zr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AlNi2Zr cluster. Zr(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one Ni(2) atom. The Zr(1)-Ni(1) bond length is 1.19 Å. The Zr(1)-Ni(2) bond length is 1.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to one Zr(1) and one Al(1) atom. The Ni(1)-Al(1) bond length is 0.32 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Zr(1) atom. Al(1) is bonded in a single-bond geometry to one Ni(1) atom.