data_LiBePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBePd2
_chemical_formula_sum   'Li1 Be1 Pd2'
_cell_volume   50.58
_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
  Li  Li1  1  0.0  0.0  0.32  1.0
  Be  Be0  1  0.47  0.47  0.87  1.0
  Pd  Pd2  1  0.47  0.47  0.67  1.0
  Pd  Pd3  1  0.0  0.0  0.78  1.0

data_LiBePd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBePd2
_chemical_formula_sum   'Li2 Be2 Pd4'
_cell_volume   101.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  2  0.0  0.0  0.32  1.0
  Be  Be1  2  0.47  0.0  0.87  1.0
  Pd  Pd2  2  0.0  0.0  0.78  1.0
  Pd  Pd3  2  0.47  0.0  0.67  1.0

Li Be Pd Pd
LiBePd2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), two equivalent Pd(2), and four equivalent Pd(1) atoms. All Li(1)-Li(1) bond lengths are 2.94 Å. There is one shorter (2.72 Å) and one longer (3.14 Å) Li(1)-Pd(2) bond length. There are a spread of Li(1)-Pd(1) bond distances ranging from 2.85-3.03 Å. Be(1) is bonded in a single-bond geometry to one Pd(1) and four equivalent Pd(2) atoms. The Be(1)-Pd(1) bond length is 1.18 Å. There are a spread of Be(1)-Pd(2) bond distances ranging from 2.03-2.27 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to four equivalent Li(1), one Be(1), and four equivalent Pd(2) atoms. There are a spread of Pd(1)-Pd(2) bond distances ranging from 2.05-2.30 Å. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), four equivalent Be(1), and four equivalent Pd(1) atoms.