data_Er2BePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2BePd
_chemical_formula_sum   'Er2 Be1 Pd1'
_cell_volume   79.78
_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
  Er  Er1  1  0.71  0.71  0.71  1.0
  Er  Er2  1  0.13  0.13  0.13  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.42  0.42  0.42  1.0

data_Er2BePd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Er2BePd
_chemical_formula_sum   'Er6 Be3 Pd3'
_cell_volume   239.35
_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
  Er  Er0  3  0.0  0.0  0.29  1.0
  Er  Er1  3  0.0  0.0  0.87  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.58  1.0

Er Er Be Pd
Er Er Be Pd 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o - 2 3 o - o 2 3 - o o 
BeEr2Pd is Heusler structured and crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one Er(2), three equivalent Er(1), and three equivalent Pd(1) atoms. The Be(1)-Er(2) bond length is 1.48 Å. All Be(1)-Er(1) bond lengths are 2.83 Å. All Be(1)-Pd(1) bond lengths are 2.96 Å. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to three equivalent Be(1) and four equivalent Pd(1) atoms. There are three shorter (2.83 Å) and one longer (3.45 Å) Er(1)-Pd(1) bond length. In the second Er site, Er(2) is bonded in a single-bond geometry to one Be(1) and four equivalent Pd(1) atoms. There are three shorter (2.83 Å) and one longer (3.45 Å) Er(2)-Pd(1) bond length. Pd(1) is bonded in a 11-coordinate geometry to three equivalent Be(1), four equivalent Er(1), and four equivalent Er(2) atoms.