data_BePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd2
_chemical_formula_sum   'Be4 Pd8'
_cell_volume   160.77
_cell_formula_units_Z   4
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
  Be  Be1  1  0.0  0.72  0.72  1.0
  Be  Be2  1  0.72  0.0  0.72  1.0
  Be  Be3  1  0.72  0.72  0.0  1.0
  Pd  Pd4  1  0.82  0.54  0.62  1.0
  Pd  Pd5  1  0.82  0.62  0.9  1.0
  Pd  Pd6  1  0.9  0.82  0.62  1.0
  Pd  Pd7  1  0.9  0.9  0.9  1.0
  Pd  Pd8  1  0.54  0.54  0.54  1.0
  Pd  Pd9  1  0.54  0.62  0.82  1.0
  Pd  Pd10  1  0.62  0.82  0.54  1.0
  Pd  Pd11  1  0.62  0.9  0.82  1.0

data_BePd2
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   BePd2
_chemical_formula_sum   'Be12 Pd24'
_cell_volume   482.31
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Be  Be0  9  0.19  0.09  0.81  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  9  0.04  0.88  0.78  1.0
  Pd  Pd3  9  0.16  0.04  0.66  1.0
  Pd  Pd4  3  0.0  0.0  0.54  1.0
  Pd  Pd5  3  0.0  0.0  0.9  1.0

Be Be Be Be Pd Pd Pd Pd Pd Pd Pd Pd
Be Be Be Be Pd Pd Pd Pd Pd Pd Pd Pd 0 7 - - - 1 6 - o o 1 4 - o o 2 11 o - o 2 10 o - o 3 5 o o - 3 9 o o - 4 8 o o o 4 6 o o o 4 5 o o o 5 9 o o o 6 10 o o o 8 10 o o o 8 9 o o o 9 11 o o o 10 11 o o o 