data_Be2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeNi
_chemical_formula_sum   'Be2 Fe1 Ni1'
_cell_volume   35.42
_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  Be0  1  0.3  0.3  0.96  1.0
  Be  Be1  1  0.3  0.3  0.31  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.64  1.0

data_Be2FeNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2FeNi
_chemical_formula_sum   'Be4 Fe2 Ni2'
_cell_volume   70.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Be0  2  0.3  0.0  0.31  1.0
  Be  Be1  2  0.3  0.0  0.96  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.64  1.0

Be Be Fe Ni
Be2FeNi is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Be2FeNi clusters. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Ni(1) atom. The Be(1)-Fe(1) bond length is 1.11 Å. The Be(1)-Ni(1) bond length is 2.03 Å. In the second Be site, Be(2) is bonded in a 1-coordinate geometry to one Ni(1) atom. The Be(2)-Ni(1) bond length is 2.03 Å. Fe(1) is bonded in a distorted single-bond geometry to one Be(1) and one Ni(1) atom. The Fe(1)-Ni(1) bond length is 1.92 Å. Ni(1) is bonded in a 3-coordinate geometry to one Be(1), one Be(2), and one Fe(1) atom.