data_BPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.11
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPd2
_chemical_formula_sum   'B1 P1 Pd2'
_cell_volume   55.0
_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
  P  P1  1  0.87  0.0  0.94  1.0
  Pd  Pd2  1  0.4  0.55  0.64  1.0
  Pd  Pd3  1  0.34  0.55  0.24  1.0

data_BPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.11
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPd2
_chemical_formula_sum   'B1 P1 Pd2'
_cell_volume   55.0
_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
  P  P1  1  0.87  0.0  0.94  1.0
  Pd  Pd2  1  0.34  0.55  0.24  1.0
  Pd  Pd3  1  0.4  0.55  0.64  1.0

B P Pd Pd
B P Pd Pd 0 1 - o - 0 2 o o - 0 2 o - - 0 2 - o - 0 2 - - - 0 3 o o o 0 3 o - o 1 2 + o o 1 2 + - o 1 2 o o o 1 2 o - o 1 3 + o + 1 3 + - + 2 3 o o o 2 2 + o o 2 2 o + o 