data_Be5Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Pd4
_chemical_formula_sum   'Be10 Pd8'
_cell_volume   206.9
_cell_formula_units_Z   2
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  0.43  0.21  0.78  1.0
  Be  Be1  1  0.02  0.0  0.78  1.0
  Be  Be2  1  0.99  0.75  0.78  1.0
  Be  Be3  1  0.01  0.75  0.26  1.0
  Be  Be4  1  0.86  0.0  0.26  1.0
  Be  Be5  1  0.57  0.21  0.26  1.0
  Be  Be6  1  0.0  0.97  0.52  1.0
  Be  Be7  1  0.44  0.99  0.0  1.0
  Be  Be8  1  0.44  0.99  0.52  1.0
  Be  Be9  1  0.0  0.97  0.0  1.0
  Pd  Pd10  1  0.0  0.0  0.52  1.0
  Pd  Pd11  1  0.0  0.0  0.0  1.0
  Pd  Pd12  1  0.31  0.27  0.78  1.0
  Pd  Pd13  1  0.26  0.0  0.78  1.0
  Pd  Pd14  1  0.87  0.69  0.78  1.0
  Pd  Pd15  1  0.13  0.69  0.26  1.0
  Pd  Pd16  1  0.62  0.0  0.26  1.0
  Pd  Pd17  1  0.69  0.27  0.26  1.0

data_Be5Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Pd4
_chemical_formula_sum   'Be10 Pd8'
_cell_volume   206.9
_cell_formula_units_Z   2
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  0.97  1.0
  Be  Be1  1  0.0  0.44  0.99  1.0
  Be  Be2  1  0.26  0.01  0.75  1.0
  Be  Be3  1  0.26  0.57  0.21  1.0
  Be  Be4  1  0.26  0.86  0.0  1.0
  Be  Be5  1  0.52  -0.0  0.97  1.0
  Be  Be6  1  0.52  0.44  0.99  1.0
  Be  Be7  1  0.78  0.02  0.0  1.0
  Be  Be8  1  0.78  0.43  0.21  1.0
  Be  Be9  1  0.78  0.99  0.75  1.0
  Pd  Pd10  1  0.0  0.0  0.0  1.0
  Pd  Pd11  1  0.26  0.13  0.69  1.0
  Pd  Pd12  1  0.26  0.62  0.0  1.0
  Pd  Pd13  1  0.26  0.69  0.27  1.0
  Pd  Pd14  1  0.52  0.0  0.0  1.0
  Pd  Pd15  1  0.78  0.26  0.0  1.0
  Pd  Pd16  1  0.78  0.31  0.27  1.0
  Pd  Pd17  1  0.78  0.87  0.69  1.0

Be Be Be Be Be Be Be Be Be Be Pd Pd Pd Pd Pd Pd Pd Pd
Be Be Be Be Be Be Be Be Be Be Pd Pd Pd Pd Pd Pd Pd Pd 0 12 o o o 0 7 o - + 0 8 o - o 0 13 o o o 1 6 o - o 1 9 o - + 1 10 o o o 1 11 o o + 1 13 o o o 2 14 o o o 3 15 o o o 4 16 o o o 4 9 + - o 4 6 + - o 4 11 + o o 4 10 + o o 5 17 o o o 5 7 o - o 5 8 o - o 5 16 o o o 6 10 o + o 7 13 o + - 7 16 o + o 8 13 o + o 8 16 o + o 9 11 o + o 12 13 o o o 16 17 o o o 