data_Be2VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.43
_cell_length_b   3.26
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VFe
_chemical_formula_sum   'Be2 V1 Fe1'
_cell_volume   40.52
_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  0.22  0.63  0.43  1.0
  Be  Be1  1  0.22  0.63  0.68  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.55  1.0

data_Be2VFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   3.26
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VFe
_chemical_formula_sum   'Be2 V1 Fe1'
_cell_volume   40.52
_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  0.22  0.63  0.43  1.0
  Be  Be1  1  0.22  0.63  0.68  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.55  1.0

Be Be V Fe
Be2VFe crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 2-coordinate geometry to one Be(2), one V(1), and one Fe(1) atom. The Be(1)-Be(2) bond length is 1.27 Å. The Be(1)-V(1) bond length is 2.55 Å. The Be(1)-Fe(1) bond length is 1.46 Å. In the second Be site, Be(2) is bonded in a 2-coordinate geometry to one Be(1), two equivalent V(1), and one Fe(1) atom. There is one shorter (2.10 Å) and one longer (2.68 Å) Be(2)-V(1) bond length. The Be(2)-Fe(1) bond length is 1.46 Å. V(1) is bonded in a 6-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent V(1), and one Fe(1) atom. Both V(1)-V(1) bond lengths are 2.43 Å. The V(1)-Fe(1) bond length is 2.28 Å. Fe(1) is bonded in a 2-coordinate geometry to one Be(1), one Be(2), and one V(1) atom.