data_BP(H3N)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72
_cell_length_b   9.68
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   101.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP(H3N)3
_chemical_formula_sum   'B4 P4 H36 N12'
_cell_volume   576.61
_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  0.99  0.41  0.72  1.0
  B  B1  1  0.11  0.25  0.35  1.0
  B  B2  1  0.5  0.27  0.42  1.0
  B  B3  1  0.37  0.43  0.78  1.0
  P  P4  1  0.18  0.2  0.04  1.0
  P  P5  1  0.93  0.37  0.02  1.0
  P  P6  1  0.31  0.47  0.09  1.0
  P  P7  1  0.56  0.31  0.11  1.0
  H  H8  1  0.13  0.19  0.14  1.0
  H  H9  1  0.97  0.35  0.93  1.0
  H  H10  1  0.36  0.48  1.0  1.0
  H  H11  1  0.51  0.32  0.2  1.0
  H  H12  1  0.14  0.36  0.47  1.0
  H  H13  1  0.96  0.53  0.6  1.0
  H  H14  1  0.35  0.31  0.67  1.0
  H  H15  1  0.52  0.15  0.53  1.0
  H  H16  1  0.94  0.34  0.99  1.0
  H  H17  1  0.94  0.18  0.21  1.0
  H  H18  1  0.55  0.33  0.14  1.0
  H  H19  1  0.55  0.5  0.92  1.0
  H  H20  1  0.32  0.58  0.0  1.0
  H  H21  1  0.79  0.42  0.07  1.0
  H  H22  1  0.17  0.1  0.13  1.0
  H  H23  1  0.7  0.26  0.07  1.0
  H  H24  1  0.88  0.83  0.2  1.0
  H  H25  1  0.22  0.99  0.86  1.0
  H  H26  1  0.61  0.85  0.93  1.0
  H  H27  1  0.26  0.69  0.27  1.0
  H  H28  1  0.38  0.72  0.56  1.0
  H  H29  1  0.72  0.89  0.5  1.0
  H  H30  1  0.11  0.95  0.57  1.0
  H  H31  1  0.76  0.79  0.63  1.0
  H  H32  1  0.78  0.34  0.73  1.0
  H  H33  1  0.32  0.18  0.34  1.0
  H  H34  1  0.71  0.33  0.4  1.0
  H  H35  1  0.16  0.49  0.79  1.0
  H  H36  1  0.24  0.25  0.56  1.0
  H  H37  1  0.63  0.41  0.64  1.0
  H  H38  1  0.25  0.43  0.57  1.0
  H  H39  1  0.86  0.27  0.5  1.0
  H  H40  1  0.83  0.78  0.75  1.0
  H  H41  1  0.28  0.61  0.32  1.0
  H  H42  1  0.66  0.9  0.38  1.0
  H  H43  1  0.21  0.06  0.81  1.0
  N  N44  1  0.11  0.02  0.54  1.0
  N  N45  1  1.0  0.18  0.53  1.0
  N  N46  1  0.38  0.66  0.59  1.0
  N  N47  1  0.49  0.49  0.6  1.0
  N  N48  1  0.72  0.64  0.95  1.0
  N  N49  1  0.15  0.48  0.25  1.0
  N  N50  1  0.76  0.03  0.18  1.0
  N  N51  1  0.34  0.2  0.88  1.0
  N  N52  1  0.6  0.33  0.04  1.0
  N  N53  1  0.5  0.49  0.02  1.0
  N  N54  1  0.89  0.35  0.09  1.0
  N  N55  1  0.98  0.19  0.11  1.0

data_BP(H3N)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.25
_cell_length_b   9.68
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   101.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BP(H3N)3
_chemical_formula_sum   'B4 P4 H36 N12'
_cell_volume   576.61
_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  0.15  0.57  0.24  1.0
  B  B1  2  0.22  0.59  0.63  1.0
  P  P2  2  0.46  0.53  0.18  1.0
  P  P3  2  0.48  0.37  0.43  1.0
  H  H4  2  0.0  0.11  0.36  1.0
  H  H5  2  0.0  0.59  0.5  1.0
  H  H6  2  0.03  0.69  0.22  1.0
  H  H7  2  0.06  0.95  0.02  1.0
  H  H8  2  0.07  0.57  0.89  1.0
  H  H9  2  0.1  0.47  0.6  1.0
  H  H10  2  0.16  0.51  0.03  1.0
  H  H11  2  0.18  0.94  0.08  1.0
  H  H12  2  0.23  0.66  0.42  1.0
  H  H13  2  0.25  0.22  0.47  1.0
  H  H14  2  0.3  0.15  0.48  1.0
  H  H15  2  0.36  0.66  0.81  1.0
  H  H16  2  0.36  0.52  0.23  1.0
  H  H17  2  0.36  0.01  0.86  1.0
  H  H18  2  0.42  0.5  0.19  1.0
  H  H19  2  0.43  0.65  0.61  1.0
  H  H20  2  0.43  0.74  0.57  1.0
  H  H21  2  0.5  0.58  0.04  1.0
  N  N22  2  0.03  0.82  0.64  1.0
  N  N23  2  0.04  0.66  0.75  1.0
  N  N24  2  0.32  0.36  0.59  1.0
  N  N25  2  0.38  0.8  0.98  1.0
  N  N26  2  0.46  0.65  0.76  1.0
  N  N27  2  0.48  0.49  0.85  1.0

B B B B P P P P H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N N N N N N N
B B B B P P P P H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N N N N N N N 0 9 o o o 0 13 o o o 0 32 o o o 0 35 + o o 1 8 o o o 1 36 o o o 1 12 o o o 1 33 o o o 1 45 - o o 2 15 o o o 2 11 o o o 2 33 o o o 2 34 o o o 3 14 o o o 3 38 o o o 3 10 o o o 3 35 o o o 3 47 o o o 4 8 o o o 4 22 o o o 4 33 o o o 4 51 o o - 5 16 o o - 5 32 o o - 5 54 o o o 6 10 o o - 6 20 o o o 6 35 o o - 6 49 o o o 7 18 o o o 7 34 o o o 7 52 o o o 8 22 o o o 8 33 o o o 9 16 o o o 9 32 o o o 10 20 o o + 10 35 o o o 11 18 o o o 11 34 o o o 12 36 o o o 12 38 o o o 12 49 o o o 13 35 + o o 14 36 o o o 14 38 o o o 14 51 o o o 15 33 o o o 16 32 o o o 17 55 o o o 17 45 o o o 17 50 o o o 18 34 o o o 19 53 o o + 19 47 o o o 19 48 o o o 20 35 o o - 21 54 o o o 21 48 o o - 22 33 o o o 23 52 o o o 23 50 o o o 24 48 o o - 24 40 o o - 24 26 o o - 24 50 o + o 24 42 o o o 24 29 o o o 25 43 o + o 26 48 o o o 26 40 o o o 26 31 o o o 26 50 o + + 26 42 o o + 27 41 o o o 28 46 o o o 29 42 o o o 29 50 o + o 30 44 o + o 31 40 o o o 31 48 o o o 32 34 o o o 32 37 o o o 32 39 o o o 33 36 o o o 34 37 o o o 34 39 o o o 35 38 o o o 36 51 o o o 37 47 o o o 38 49 o o o 39 45 o o o 40 48 o o o 41 49 o o o 42 50 o + o 43 51 o o o 44 45 - o o 46 47 o o o 