data_Co2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.79
_cell_angle_alpha   91.06
_cell_angle_beta   91.06
_cell_angle_gamma   100.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PAu
_chemical_formula_sum   'Co2 P1 Au1'
_cell_volume   51.73
_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
  Co  Co1  1  0.35  0.33  0.4  1.0
  Co  Co2  1  0.35  0.67  0.4  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.78  0.0  0.0  1.0

data_Co2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   100.52
_cell_angle_beta   91.06
_cell_angle_gamma   91.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PAu
_chemical_formula_sum   'Co2 P1 Au1'
_cell_volume   51.73
_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
  Co  Co0  1  0.4  0.35  0.33  1.0
  Co  Co1  1  0.4  0.35  0.67  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.78  0.0  1.0

Co Co P Au
Co Co P Au 0 1 o o o 2 3 - o o 
Co2AuP crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Co(2) and one P(1) atom. The Co(1)-Co(2) bond length is 1.47 Å. The Co(1)-P(1) bond length is 2.16 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one Co(1), two equivalent Au(1), and two equivalent P(1) atoms. There is one shorter (2.43 Å) and one longer (2.68 Å) Co(2)-Au(1) bond length. There is one shorter (2.52 Å) and one longer (2.82 Å) Co(2)-P(1) bond length. Au(1) is bonded in a distorted single-bond geometry to two equivalent Co(2) and one P(1) atom. The Au(1)-P(1) bond length is 0.98 Å. P(1) is bonded in a distorted single-bond geometry to one Co(1), two equivalent Co(2), and one Au(1) atom.