data_BeRePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   147.44
_cell_angle_beta   128.04
_cell_angle_gamma   62.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRePd2
_chemical_formula_sum   'Be1 Re1 Pd2'
_cell_volume   53.07
_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
  Re  Re3  1  0.0  0.0  0.29  1.0
  Pd  Pd1  1  0.0  0.2  0.44  1.0
  Pd  Pd2  1  0.41  0.0  0.85  1.0

data_BeRePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.4
_cell_length_c   5.02
_cell_angle_alpha   115.98
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRePd2
_chemical_formula_sum   'Be1 Re1 Pd2'
_cell_volume   53.07
_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
  Re  Re1  1  0.71  0.71  0.71  1.0
  Pd  Pd2  1  0.56  0.15  0.56  1.0
  Pd  Pd3  1  0.56  0.76  0.76  1.0

Be Re Pd Pd
Be Re Pd Pd 0 2 o o o 0 1 o o o 0 3 o o - 0 3 - o - 1 2 o o o 1 3 o o o 1 3 - o - 2 3 o o o 2 3 - o - 3 3 o + + 
BeRePd2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a 5-coordinate geometry to one Re(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. The Be(1)-Re(1) bond length is 1.44 Å. There is one shorter (1.47 Å) and one longer (2.24 Å) Be(1)-Pd(1) bond length. There is one shorter (2.58 Å) and one longer (2.59 Å) Be(1)-Pd(2) bond length. Re(1) is bonded in a single-bond geometry to one Be(1), one Pd(1), and one Pd(2) atom. The Re(1)-Pd(1) bond length is 0.54 Å. The Re(1)-Pd(2) bond length is 2.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to two equivalent Be(1) and one Re(1) atom. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to two equivalent Be(1) and one Re(1) atom.