data_BaNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   132.77
_cell_angle_beta   128.62
_cell_angle_gamma   72.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiP
_chemical_formula_sum   'Ba1 Ni1 P1'
_cell_volume   84.11
_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  0.09  1.0
  Ni  Ni1  1  0.0  0.0  0.28  1.0
  P  P2  1  0.0  0.0  0.21  1.0

data_BaNiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.61
_cell_length_c   5.31
_cell_angle_alpha   115.69
_cell_angle_beta   113.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiP
_chemical_formula_sum   'Ba1 Ni1 P1'
_cell_volume   84.11
_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  0.91  0.91  0.91  1.0
  Ni  Ni1  1  0.72  0.72  0.72  1.0
  P  P2  1  0.79  0.79  0.79  1.0

Ba Ni P
Ba Ni P 0 2 o o o 1 2 o o o 
BaNiP is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaNiP cluster. Ba(1) is bonded in a single-bond geometry to one P(1) atom. The Ba(1)-P(1) bond length is 0.65 Å. Ni(1) is bonded in a single-bond geometry to one P(1) atom. The Ni(1)-P(1) bond length is 0.34 Å. P(1) is bonded in a linear geometry to one Ba(1) and one Ni(1) atom.