data_Ni2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   146.38
_cell_angle_beta   145.37
_cell_angle_gamma   49.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AuSe
_chemical_formula_sum   'Ni2 Au1 Se1'
_cell_volume   61.36
_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  Ni1  1  0.0  0.0  0.08  1.0
  Ni  Ni2  1  0.68  0.0  0.35  1.0
  Au  Au0  1  0.0  0.73  0.18  1.0
  Se  Se3  1  0.0  0.0  0.97  1.0

data_Ni2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.46
_cell_length_c   5.81
_cell_angle_alpha   107.31
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AuSe
_chemical_formula_sum   'Ni2 Au1 Se1'
_cell_volume   61.36
_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  Ni0  1  0.0  0.08  0.08  1.0
  Ni  Ni1  1  0.0  0.35  0.67  1.0
  Au  Au2  1  0.27  0.45  0.45  1.0
  Se  Se3  1  0.0  0.97  0.97  1.0

Ni Ni Au Se
Ni2AuSe crystallizes in the triclinic P1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Au(1) and one Se(1) atom. The Ni(1)-Au(1) bond length is 2.09 Å. The Ni(1)-Se(1) bond length is 0.63 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent Au(1) and two equivalent Se(1) atoms. There is one shorter (1.86 Å) and one longer (2.49 Å) Ni(2)-Au(1) bond length. There is one shorter (2.34 Å) and one longer (2.48 Å) Ni(2)-Se(1) bond length. Au(1) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent Ni(2) atoms. Se(1) is bonded in a single-bond geometry to one Ni(1) and two equivalent Ni(2) atoms.