data_BePd8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   91.88
_cell_angle_beta   91.88
_cell_angle_gamma   159.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePd8
_chemical_formula_sum   'Be1 Pd8'
_cell_volume   133.52
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.35  0.0  0.0  1.0
  Pd  Pd2  1  0.73  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.35  0.0  1.0
  Pd  Pd4  1  0.53  0.53  0.0  1.0
  Pd  Pd5  1  0.51  0.49  0.31  1.0
  Pd  Pd6  1  0.0  0.73  0.0  1.0
  Pd  Pd7  1  0.49  0.51  0.31  1.0
  Pd  Pd8  1  0.51  0.51  0.31  1.0

data_BePd8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.63
_cell_length_b   14.26
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BePd8
_chemical_formula_sum   'Be2 Pd16'
_cell_volume   267.04
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  4  0.13  0.13  0.0  1.0
  Pd  Pd2  4  0.31  0.49  0.31  1.0
  Pd  Pd3  4  0.32  0.32  0.0  1.0
  Pd  Pd4  2  0.3  0.5  0.31  1.0
  Pd  Pd5  2  0.47  0.0  0.0  1.0

Be Pd Pd Pd Pd Pd Pd Pd Pd
Be Pd Pd Pd Pd Pd Pd Pd Pd 0 4 - - o 0 4 o o o 1 6 o - o 2 3 + o o 5 8 o o o 7 8 o o o 