data_BeFeNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   133.01
_cell_angle_beta   133.01
_cell_angle_gamma   68.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeNi2
_chemical_formula_sum   'Be1 Fe1 Ni2'
_cell_volume   41.35
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.71  0.0  0.77  1.0
  Ni  Ni2  1  0.0  0.0  0.54  1.0
  Ni  Ni3  1  0.0  0.71  0.77  1.0

data_BeFeNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   4.29
_cell_angle_alpha   113.5
_cell_angle_beta   113.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeNi2
_chemical_formula_sum   'Be1 Fe1 Ni2'
_cell_volume   41.35
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.23  0.0  0.94  1.0
  Ni  Ni2  1  0.46  0.0  0.46  1.0
  Ni  Ni3  1  0.94  0.71  0.94  1.0

Be Fe Ni Ni
BeFeNi2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a water-like geometry to one Fe(1), one Ni(2), and two equivalent Ni(1) atoms. The Be(1)-Fe(1) bond length is 0.92 Å. The Be(1)-Ni(2) bond length is 0.92 Å. There is one shorter (1.97 Å) and one longer (2.31 Å) Be(1)-Ni(1) bond length. Fe(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Ni(1) atoms. There is one shorter (2.05 Å) and one longer (2.47 Å) Fe(1)-Ni(1) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to two equivalent Be(1), two equivalent Fe(1), and two equivalent Ni(2) atoms. There is one shorter (2.05 Å) and one longer (2.47 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Be(1) and two equivalent Ni(1) atoms.