data_Be2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   3.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiAu
_chemical_formula_sum   'Be2 Ni1 Au1'
_cell_volume   43.65
_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
  Be  Be1  1  0.19  0.19  0.19  1.0
  Be  Be2  1  0.4  0.4  0.4  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.79  0.79  0.79  1.0

data_Be2NiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be2NiAu
_chemical_formula_sum   'Be6 Ni3 Au3'
_cell_volume   130.95
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Be  Be0  3  0.0  0.0  0.6  1.0
  Be  Be1  3  0.0  0.0  0.81  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.21  1.0

Be Be Ni Au
Be2NiAu crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 1-coordinate geometry to one Be(2), one Ni(1), and three equivalent Au(1) atoms. The Be(1)-Be(2) bond length is 1.99 Å. The Be(1)-Ni(1) bond length is 1.86 Å. All Be(1)-Au(1) bond lengths are 2.36 Å. In the second Be site, Be(2) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Ni(1), and three equivalent Au(1) atoms. All Be(2)-Ni(1) bond lengths are 2.36 Å. All Be(2)-Au(1) bond lengths are 2.36 Å. Ni(1) is bonded in a distorted linear geometry to one Be(1), three equivalent Be(2), and four equivalent Au(1) atoms. There is one shorter (1.99 Å) and three longer (2.60 Å) Ni(1)-Au(1) bond lengths. Au(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and four equivalent Ni(1) atoms.