data_CuP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP2Pd
_chemical_formula_sum   'Cu1 P2 Pd1'
_cell_volume   56.76
_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  0.0  0.0  0.0  1.0
  P  P1  1  0.36  0.73  0.51  1.0
  P  P2  1  0.36  0.27  0.51  1.0
  Pd  Pd3  1  0.72  0.0  0.0  1.0

data_CuP2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.4
_cell_length_b   3.01
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   103.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuP2Pd
_chemical_formula_sum   'Cu1 P2 Pd1'
_cell_volume   56.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  P  P1  1  0.36  0.5  0.27  1.0
  P  P2  1  0.36  0.5  0.73  1.0
  Pd  Pd3  1  0.72  0.0  0.0  1.0

Cu P P Pd
PdCuP2 crystallizes in the triclinic P1 space group. Pd(1) is bonded in a single-bond geometry to one Cu(1), two equivalent P(1), and two equivalent P(2) atoms. The Pd(1)-Cu(1) bond length is 1.23 Å. There is one shorter (2.29 Å) and one longer (2.31 Å) Pd(1)-P(1) bond length. There is one shorter (2.65 Å) and one longer (2.67 Å) Pd(1)-P(2) bond length. Cu(1) is bonded in a distorted single-bond geometry to one Pd(1), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (2.65 Å) and one longer (2.67 Å) Cu(1)-P(1) bond length. There is one shorter (2.29 Å) and one longer (2.31 Å) Cu(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Cu(1), and two equivalent P(2) atoms. There is one shorter (2.04 Å) and one longer (2.36 Å) P(1)-P(2) bond length. In the second P site, P(2) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Cu(1), and two equivalent P(1) atoms.