data_BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   3.57
_cell_angle_alpha   46.78
_cell_angle_beta   46.78
_cell_angle_gamma   46.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPd
_chemical_formula_sum   'B1 Pd1'
_cell_volume   22.17
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.77  1.0

data_BPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   2.84
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   117.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BPd
_chemical_formula_sum   'B2 Pd2'
_cell_volume   44.34
_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
  B  B0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.77  1.0

B Pd
B Pd 0 1 o o - 