data_B3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   133.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Pd
_chemical_formula_sum   'B6 Pd2'
_cell_volume   74.66
_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
  B  B0  1  0.34  0.91  0.73  1.0
  B  B1  1  0.34  0.09  0.18  1.0
  B  B2  1  0.18  0.33  0.73  1.0
  B  B3  1  0.5  0.67  0.18  1.0
  B  B4  1  0.5  0.33  0.73  1.0
  B  B5  1  0.18  0.67  0.18  1.0
  Pd  Pd6  1  0.34  0.75  0.18  1.0
  Pd  Pd7  1  0.34  0.25  0.73  1.0

data_B3Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.91
_cell_length_b   4.68
_cell_length_c   5.97
_cell_angle_alpha   113.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   B3Pd
_chemical_formula_sum   'B6 Pd2'
_cell_volume   74.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  B  B0  2  0.27  0.09  0.09  1.0
  B  B1  2  0.27  0.67  0.51  1.0
  B  B2  2  0.27  0.67  0.83  1.0
  Pd  Pd3  2  0.27  0.75  0.75  1.0

B B B B B B Pd Pd