data_ZrBePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBePd2
_chemical_formula_sum   'Zr1 Be1 Pd2'
_cell_volume   63.39
_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
  Zr  Zr3  1  0.97  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.48  0.79  0.49  1.0
  Pd  Pd2  1  0.48  0.21  0.49  1.0

data_ZrBePd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.65
_cell_length_b   2.99
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrBePd2
_chemical_formula_sum   'Zr1 Be1 Pd2'
_cell_volume   63.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.97  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.48  0.5  0.21  1.0
  Pd  Pd3  1  0.48  0.5  0.79  1.0

Zr Be Pd Pd
Zr Be Pd Pd 0 1 + o o 2 3 o + o 
BeZrPd2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to one Zr(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. The Be(1)-Zr(1) bond length is 0.16 Å. There is one shorter (3.00 Å) and one longer (3.02 Å) Be(1)-Pd(1) bond length. There is one shorter (2.72 Å) and one longer (2.73 Å) Be(1)-Pd(2) bond length. Zr(1) is bonded in a single-bond geometry to one Be(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. There is one shorter (2.72 Å) and one longer (2.73 Å) Zr(1)-Pd(1) bond length. There is one shorter (3.00 Å) and one longer (3.02 Å) Zr(1)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to two equivalent Be(1), two equivalent Zr(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. Both Pd(1)-Pd(1) bond lengths are 2.99 Å. There is one shorter (1.97 Å) and one longer (2.67 Å) Pd(1)-Pd(2) bond length. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to two equivalent Be(1), two equivalent Zr(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. Both Pd(2)-Pd(2) bond lengths are 2.99 Å.