data_NbCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2P
_chemical_formula_sum   'Nb1 Cu2 P1'
_cell_volume   57.0
_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
  Nb  Nb2  1  0.49  0.0  0.0  1.0
  Cu  Cu0  1  0.24  0.15  0.34  1.0
  Cu  Cu1  1  0.24  0.85  0.34  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_NbCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   119.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2P
_chemical_formula_sum   'Nb1 Cu2 P1'
_cell_volume   57.0
_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
  Nb  Nb0  1  0.0  0.49  0.0  1.0
  Cu  Cu1  1  0.34  0.24  0.15  1.0
  Cu  Cu2  1  0.34  0.24  0.85  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Nb Cu Cu P
CuNbCuP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuNb cluster and one CuP cluster. In the CuNb cluster, Nb(1) is bonded in a distorted single-bond geometry to one Cu(2) atom. The Nb(1)-Cu(2) bond length is 1.38 Å. Cu(2) is bonded in a 1-coordinate geometry to one Nb(1) atom. In the CuP cluster, Cu(1) is bonded in a 1-coordinate geometry to one P(1) atom. The Cu(1)-P(1) bond length is 1.38 Å. P(1) is bonded in a distorted single-bond geometry to one Cu(1) atom.