data_BaNbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   149.36
_cell_angle_beta   149.36
_cell_angle_gamma   43.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbP
_chemical_formula_sum   'Ba1 Nb1 P1'
_cell_volume   75.02
_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
  Ba  Ba0  1  0.0  0.0  0.06  1.0
  Nb  Nb1  1  0.0  0.0  0.88  1.0
  P  P2  1  0.0  0.0  0.33  1.0

data_BaNbP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNbP
_chemical_formula_sum   'Ba2 Nb2 P2'
_cell_volume   150.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.06  0.0  0.06  1.0
  Nb  Nb1  2  0.38  0.5  0.88  1.0
  P  P2  2  0.33  0.0  0.33  1.0

Ba Nb P
BaNbP is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaNbP clusters. Ba(1) is bonded in a linear geometry to one Nb(1) and one P(1) atom. The Ba(1)-Nb(1) bond length is 1.17 Å. The Ba(1)-P(1) bond length is 1.79 Å. Nb(1) is bonded in a single-bond geometry to one Ba(1) atom. P(1) is bonded in a single-bond geometry to one Ba(1) atom.