data_BeFePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   134.84
_cell_angle_beta   134.84
_cell_angle_gamma   65.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFePd2
_chemical_formula_sum   'Be1 Fe1 Pd2'
_cell_volume   52.66
_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  0.82  0.0  0.99  1.0
  Pd  Pd2  1  0.0  0.0  0.98  1.0
  Pd  Pd3  1  0.0  0.82  0.99  1.0

data_BeFePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   4.74
_cell_angle_alpha   112.58
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFePd2
_chemical_formula_sum   'Be1 Fe1 Pd2'
_cell_volume   52.66
_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  0.01  0.0  0.83  1.0
  Pd  Pd2  1  0.02  0.0  0.02  1.0
  Pd  Pd3  1  0.83  0.82  0.83  1.0

Be Fe Pd Pd
Be Fe Pd Pd 0 2 o o - 0 1 - o - 0 3 o - - 1 3 + - o 1 2 + o o 2 3 o - o 
BeFePd2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeFePd2 cluster. Be(1) is bonded in a distorted single-bond geometry to one Fe(1), one Pd(1), and one Pd(2) atom. The Be(1)-Fe(1) bond length is 0.82 Å. The Be(1)-Pd(1) bond length is 0.11 Å. The Be(1)-Pd(2) bond length is 0.82 Å. Fe(1) is bonded in a 2-coordinate geometry to one Be(1) and one Pd(2) atom. The Fe(1)-Pd(2) bond length is 0.93 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Be(1) atom. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Be(1) and one Fe(1) atom.