data_NiTeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeAu2
_chemical_formula_sum   'Ni1 Te1 Au2'
_cell_volume   77.09
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.3  1.0
  Au  Au0  1  0.08  0.0  0.97  1.0
  Au  Au1  1  0.08  0.0  0.63  1.0

data_NiTeAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiTeAu2
_chemical_formula_sum   'Ni1 Te1 Au2'
_cell_volume   77.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.3  1.0
  Au  Au2  1  0.08  0.0  0.63  1.0
  Au  Au3  1  0.08  0.0  0.97  1.0

Ni Te Au Au
NiAu2Te crystallizes in the monoclinic Pm space group. Ni(1) is bonded in a single-bond geometry to one Au(1) and one Te(1) atom. The Ni(1)-Au(1) bond length is 0.35 Å. The Ni(1)-Te(1) bond length is 2.57 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Ni(1) and one Au(2) atom. The Au(1)-Au(2) bond length is 2.95 Å. In the second Au site, Au(2) is bonded to one Au(1), four equivalent Au(2), and one Te(1) atom to form distorted AuTeAu5 octahedra that share corners with four equivalent Au(2)TeAu5 octahedra, edges with four equivalent Au(2)TeAu5 octahedra, and edges with four equivalent Te(1)NiTe4Au octahedra. The corner-sharing octahedra are not tilted. All Au(2)-Au(2) bond lengths are 3.00 Å. The Au(2)-Te(1) bond length is 2.83 Å. Te(1) is bonded to one Ni(1), one Au(2), and four equivalent Te(1) atoms to form distorted TeNiTe4Au octahedra that share corners with four equivalent Te(1)NiTe4Au octahedra, edges with four equivalent Au(2)TeAu5 octahedra, and edges with four equivalent Te(1)NiTe4Au octahedra. The corner-sharing octahedra are not tilted. All Te(1)-Te(1) bond lengths are 3.00 Å.