data_BaBePdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBePdPb
_chemical_formula_sum   'Ba1 Be1 Pd1 Pb1'
_cell_volume   97.44
_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
  Ba  Ba0  1  0.83  0.83  0.83  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.48  0.48  0.48  1.0
  Pb  Pb2  1  0.65  0.65  0.65  1.0

data_BaBePdPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaBePdPb
_chemical_formula_sum   'Ba3 Be3 Pd3 Pb3'
_cell_volume   292.32
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ba  Ba0  3  0.0  0.0  0.17  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.52  1.0
  Pb  Pb3  3  0.0  0.0  0.35  1.0

Ba Be Pd Pb
BaBePdPb crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Be(1), three equivalent Pd(1), and one Pb(1) atom to form distorted BaBePd3Pb trigonal bipyramids that share corners with six equivalent Ba(1)BePd3Pb trigonal bipyramids,  a cornercorner with one Pd(1)Ba3Pb trigonal pyramid, and corners with three equivalent Be(1)BaPb3 trigonal pyramids. The Ba(1)-Be(1) bond length is 2.20 Å. All Ba(1)-Pd(1) bond lengths are 2.99 Å. The Ba(1)-Pb(1) bond length is 2.20 Å. Be(1) is bonded to one Ba(1) and three equivalent Pb(1) atoms to form distorted BeBaPb3 trigonal pyramids that share corners with three equivalent Ba(1)BePd3Pb trigonal bipyramids, corners with six equivalent Be(1)BaPb3 trigonal pyramids, and edges with three equivalent Pd(1)Ba3Pb trigonal pyramids. All Be(1)-Pb(1) bond lengths are 2.99 Å. Pd(1) is bonded to three equivalent Ba(1) and one Pb(1) atom to form PdBa3Pb trigonal pyramids that share  a cornercorner with one Ba(1)BePd3Pb trigonal bipyramid, corners with six equivalent Pd(1)Ba3Pb trigonal pyramids, and edges with three equivalent Be(1)BaPb3 trigonal pyramids. The Pd(1)-Pb(1) bond length is 2.20 Å. Pb(1) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Be(1), and one Pd(1) atom.