data_BP4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   5.45
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP4Pd
_chemical_formula_sum   'B4 P16 Pd4'
_cell_volume   386.11
_cell_formula_units_Z   4
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  0.49  0.36  0.76  1.0
  B  B1  1  0.56  0.09  0.13  1.0
  B  B2  1  0.61  0.09  0.98  1.0
  B  B3  1  0.54  0.36  0.61  1.0
  P  P4  1  0.44  0.36  0.56  1.0
  P  P5  1  0.61  0.09  0.93  1.0
  P  P6  1  0.66  0.09  0.18  1.0
  P  P7  1  0.49  0.36  0.81  1.0
  P  P8  1  0.71  0.36  0.58  1.0
  P  P9  1  0.34  0.09  0.95  1.0
  P  P10  1  0.39  0.09  0.16  1.0
  P  P11  1  0.77  0.36  0.79  1.0
  P  P12  1  0.07  0.42  0.42  1.0
  P  P13  1  0.98  0.03  0.79  1.0
  P  P14  1  0.03  0.7  0.33  1.0
  P  P15  1  0.13  0.75  0.95  1.0
  P  P16  1  0.03  0.03  0.33  1.0
  P  P17  1  0.13  0.42  0.95  1.0
  P  P18  1  0.07  0.75  0.42  1.0
  P  P19  1  0.98  0.7  0.79  1.0
  Pd  Pd20  1  0.51  0.36  0.95  1.0
  Pd  Pd21  1  0.54  0.09  0.58  1.0
  Pd  Pd22  1  0.59  0.09  0.79  1.0
  Pd  Pd23  1  0.56  0.36  0.16  1.0

data_BP4Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.45
_cell_length_b   8.1
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BP4Pd
_chemical_formula_sum   'B4 P16 Pd4'
_cell_volume   386.11
_cell_formula_units_Z   4
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  0.36  0.06  0.11  1.0
  B  B1  2  0.36  0.01  0.26  1.0
  P  P2  2  0.03  0.57  0.08  1.0
  P  P3  2  0.03  0.52  0.55  1.0
  P  P4  2  0.3  0.43  0.92  1.0
  P  P5  2  0.3  0.48  0.45  1.0
  P  P6  2  0.36  0.11  0.31  1.0
  P  P7  2  0.36  0.84  0.29  1.0
  P  P8  2  0.36  0.06  0.06  1.0
  P  P9  2  0.36  0.79  0.08  1.0
  Pd  Pd10  2  0.36  0.04  0.92  1.0
  Pd  Pd11  2  0.36  0.99  0.71  1.0

B B B B P P P P P P P P P P P P P P P P Pd Pd Pd Pd
B B B B P P P P P P P P P P P P P P P P Pd Pd Pd Pd 0 7 o o o 0 11 o o o 1 6 o o o 1 9 o o - 1 10 o o o 1 23 o o o 2 5 o o o 2 9 o o o 3 4 o o o 3 8 o o o 3 11 o o o 3 21 o o o 4 21 o o o 5 9 o o o 5 11 o o o 5 22 o o o 6 23 o o o 7 9 o o o 7 11 o o o 7 20 o o o 8 11 o o o 9 15 o - o 9 17 o o o 9 22 o o o 9 20 o o o 9 10 o o + 11 22 o o o 11 20 o o o 11 13 o o o 11 19 o o o 12 14 o o o 12 18 o o o 13 19 o - o 14 18 o o o 14 16 o + o 15 19 - o o 15 17 o o o 16 18 o - o 20 23 o o + 21 22 o o o 