data_BeFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   146.32
_cell_angle_beta   132.07
_cell_angle_gamma   59.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Pd
_chemical_formula_sum   'Be1 Fe2 Pd1'
_cell_volume   46.63
_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  0.41  0.0  0.99  1.0
  Fe  Fe2  1  0.0  0.97  0.22  1.0
  Pd  Pd3  1  0.0  0.0  0.21  1.0

data_BeFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.94
_cell_length_c   4.85
_cell_angle_alpha   113.97
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Pd
_chemical_formula_sum   'Be1 Fe2 Pd1'
_cell_volume   46.63
_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  0.0  0.99  0.58  1.0
  Fe  Fe2  1  0.03  0.25  0.25  1.0
  Pd  Pd3  1  0.0  0.21  0.21  1.0

Be Fe Fe Pd
Be Fe Fe Pd 0 2 o - o 0 3 o o o 0 1 o o - 1 2 + - + 1 3 + o + 2 3 o + o 
BeFe2Pd is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeFe2Pd cluster. Be(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Pd(1) atom. The Be(1)-Fe(1) bond length is 2.00 Å. The Be(1)-Pd(1) bond length is 1.00 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Be(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Pd(1) atom. The Fe(2)-Pd(1) bond length is 0.18 Å. Pd(1) is bonded in a bent 150 degrees geometry to one Be(1) and one Fe(2) atom.