data_Nb(BP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb(BP)2
_chemical_formula_sum   'Nb2 B4 P4'
_cell_volume   124.73
_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  Nb4  1  0.0  0.0  0.0  1.0
  Nb  Nb5  1  0.17  0.17  0.0  1.0
  B  B0  1  0.76  0.59  0.0  1.0
  B  B1  1  0.59  0.76  0.0  1.0
  B  B2  1  0.76  0.76  0.0  1.0
  B  B3  1  0.59  0.59  0.0  1.0
  P  P6  1  0.82  0.99  0.55  1.0
  P  P7  1  0.53  0.35  0.55  1.0
  P  P8  1  0.35  0.82  0.55  1.0
  P  P9  1  0.99  0.53  0.55  1.0

data_Nb(BP)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb(BP)2
_chemical_formula_sum   'Nb2 B4 P4'
_cell_volume   124.73
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.17  0.17  1.0
  B  B2  1  0.0  0.59  0.59  1.0
  B  B3  1  0.0  0.59  0.76  1.0
  B  B4  1  0.0  0.76  0.59  1.0
  B  B5  1  0.0  0.76  0.76  1.0
  P  P6  1  0.55  0.35  0.82  1.0
  P  P7  1  0.55  0.53  0.35  1.0
  P  P8  1  0.55  0.82  0.99  1.0
  P  P9  1  0.55  0.99  0.53  1.0

Nb Nb B B B B P P P P
Nb(BP)2 crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Nb(2), one B(3), and two equivalent P(1) atoms. The Nb(1)-Nb(2) bond length is 1.55 Å. The Nb(1)-B(3) bond length is 2.17 Å. There is one shorter (1.81 Å) and one longer (2.05 Å) Nb(1)-P(1) bond length. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Nb(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms. There is one shorter (2.88 Å) and one longer (3.04 Å) Nb(2)-P(2) bond length. There is one shorter (2.88 Å) and one longer (3.04 Å) Nb(2)-P(3) bond length. There is one shorter (2.88 Å) and one longer (3.04 Å) Nb(2)-P(4) bond length. There are three inequivalent B sites. In the first B site, B(1,2) is bonded in a 4-coordinate geometry to one B(3), one B(4), and two equivalent P(4) atoms. The B(1,2)-B(3) bond length is 1.09 Å. The B(1,2)-B(4) bond length is 1.09 Å. There is one shorter (2.07 Å) and one longer (2.29 Å) B(1,2)-P(4) bond length. In the second B site, B(3) is bonded in a 5-coordinate geometry to one Nb(1); two equivalent B(1,2); and two equivalent P(1) atoms. There is one shorter (2.07 Å) and one longer (2.29 Å) B(3)-P(1) bond length. In the third B site, B(4) is bonded in a 4-coordinate geometry to two equivalent B(1,2) and two equivalent P(2) atoms. There is one shorter (2.07 Å) and one longer (2.29 Å) B(4)-P(2) bond length. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent Nb(1) and two equivalent B(3) atoms. In the second P site, P(2) is bonded in a 4-coordinate geometry to two equivalent Nb(2) and two equivalent B(4) atoms. In the third P site, P(3) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and two equivalent B(1,2) atoms. There is one shorter (2.07 Å) and one longer (2.29 Å) P(3)-B(1,2) bond length. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to two equivalent Nb(2) and two equivalent B(1,2) atoms.