data_NbB11P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75
_cell_length_b   5.56
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB11P4
_chemical_formula_sum   'Nb2 B22 P8'
_cell_volume   307.16
_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
  Nb  Nb22  1  0.82  0.78  0.19  1.0
  Nb  Nb23  1  0.94  0.78  0.52  1.0
  B  B0  1  0.72  0.99  0.81  1.0
  B  B1  1  0.16  0.57  0.81  1.0
  B  B2  1  0.04  0.99  0.89  1.0
  B  B3  1  0.59  0.57  0.89  1.0
  B  B4  1  0.04  0.57  0.89  1.0
  B  B5  1  0.59  0.99  0.89  1.0
  B  B6  1  0.72  0.57  0.81  1.0
  B  B7  1  0.16  0.99  0.81  1.0
  B  B8  1  0.12  0.0  0.09  1.0
  B  B9  1  0.51  0.0  0.09  1.0
  B  B10  1  0.64  0.0  0.61  1.0
  B  B11  1  0.24  0.0  0.61  1.0
  B  B12  1  0.35  0.78  0.61  1.0
  B  B13  1  0.28  0.78  0.61  1.0
  B  B14  1  0.4  0.78  0.09  1.0
  B  B15  1  0.47  0.78  0.09  1.0
  B  B16  1  0.82  0.63  0.59  1.0
  B  B17  1  0.82  0.92  0.59  1.0
  B  B18  1  0.94  0.63  0.11  1.0
  B  B19  1  0.94  0.92  0.11  1.0
  B  B20  1  0.82  0.0  0.75  1.0
  B  B21  1  0.94  0.0  0.95  1.0
  P  P24  1  0.0  0.1  0.0  1.0
  P  P25  1  0.88  0.46  0.0  1.0
  P  P26  1  0.0  0.46  0.0  1.0
  P  P27  1  0.88  0.1  0.0  1.0
  P  P28  1  0.18  0.0  0.05  1.0
  P  P29  1  0.45  0.0  0.05  1.0
  P  P30  1  0.57  0.0  0.66  1.0
  P  P31  1  0.3  0.0  0.66  1.0

data_NbB11P4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   5.56
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB11P4
_chemical_formula_sum   'Nb2 B22 P8'
_cell_volume   307.16
_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
  Nb  Nb0  1  0.48  0.22  0.06  1.0
  Nb  Nb1  1  0.81  0.22  0.18  1.0
  B  B2  1  0.05  0.0  0.06  1.0
  B  B3  1  0.11  0.01  0.41  1.0
  B  B4  1  0.11  0.01  0.96  1.0
  B  B5  1  0.11  0.43  0.41  1.0
  B  B6  1  0.11  0.43  0.96  1.0
  B  B7  1  0.19  0.01  0.28  1.0
  B  B8  1  0.19  0.01  0.84  1.0
  B  B9  1  0.19  0.43  0.28  1.0
  B  B10  1  0.19  0.43  0.84  1.0
  B  B11  1  0.25  0.0  0.18  1.0
  B  B12  1  0.39  0.0  0.36  1.0
  B  B13  1  0.39  0.0  0.76  1.0
  B  B14  1  0.39  0.22  0.65  1.0
  B  B15  1  0.39  0.22  0.72  1.0
  B  B16  1  0.41  0.08  0.18  1.0
  B  B17  1  0.41  0.37  0.18  1.0
  B  B18  1  0.89  0.08  0.06  1.0
  B  B19  1  0.89  0.37  0.06  1.0
  B  B20  1  0.91  0.22  0.53  1.0
  B  B21  1  0.91  0.22  0.6  1.0
  B  B22  1  0.91  0.0  0.49  1.0
  B  B23  1  0.91  0.0  0.88  1.0
  P  P24  1  0.0  0.54  0.0  1.0
  P  P25  1  0.0  0.54  0.12  1.0
  P  P26  1  0.0  0.9  0.0  1.0
  P  P27  1  0.0  0.9  0.12  1.0
  P  P28  1  0.34  0.0  0.43  1.0
  P  P29  1  0.34  0.0  0.7  1.0
  P  P30  1  0.95  0.0  0.55  1.0
  P  P31  1  0.95  0.0  0.82  1.0

Nb Nb B B B B B B B B B B B B B B B B B B B B B B P P P P P P P P
Nb Nb B B B B B B B B B B B B B B B B B B B B B B P P P P P P P P 0 25 o o o 0 20 o o o 0 18 o o o 0 27 o + o 0 21 o o o 0 19 o o o 0 1 o o o 1 18 o o o 1 19 o o o 1 20 o o o 1 21 o o o 2 12 o + o 2 7 o o o 2 22 o + o 3 6 o o o 4 24 o + + 5 8 o o o 6 26 o o + 7 30 o + o 7 11 o + + 7 12 o + o 8 18 o o o 9 10 o + + 9 13 o + o 9 28 o + + 10 28 o o o 11 29 o o o 12 30 o o o 13 31 o o o 14 15 o o o 16 17 o o o 18 19 o o o 19 22 o + o 20 25 o o o 20 26 + o o 21 23 o + - 23 27 o o + 23 24 + o + 25 26 + o o 