data_Cu2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   137.78
_cell_angle_beta   128.36
_cell_angle_gamma   68.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PAu
_chemical_formula_sum   'Cu2 P1 Au1'
_cell_volume   56.98
_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
  Cu  Cu1  1  0.73  0.0  0.79  1.0
  Cu  Cu2  1  0.0  0.09  0.17  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.95  1.0

data_Cu2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.17
_cell_length_c   4.79
_cell_angle_alpha   115.82
_cell_angle_beta   111.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PAu
_chemical_formula_sum   'Cu2 P1 Au1'
_cell_volume   56.98
_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
  Cu  Cu0  1  0.83  0.92  0.92  1.0
  Cu  Cu1  1  0.94  0.21  0.94  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.05  0.05  0.05  1.0

Cu Cu P Au
AuCu2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AuCu2P cluster. Au(1) is bonded in a single-bond geometry to one Cu(1) and one P(1) atom. The Au(1)-Cu(1) bond length is 1.03 Å. The Au(1)-P(1) bond length is 0.22 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 1-coordinate geometry to one Au(1) atom. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one P(1) atom. The Cu(2)-P(1) bond length is 0.56 Å. P(1) is bonded in a distorted bent 150 degrees geometry to one Au(1) and one Cu(2) atom.