data_Cu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   7.96
_cell_angle_alpha   103.6
_cell_angle_beta   103.6
_cell_angle_gamma   26.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pt
_chemical_formula_sum   'Cu6 Pt3'
_cell_volume   120.35
_cell_formula_units_Z   3
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  0.12  0.0  0.18  1.0
  Cu  Cu1  1  0.29  0.0  0.03  1.0
  Cu  Cu2  1  0.91  0.0  0.9  1.0
  Cu  Cu3  1  0.58  0.0  0.83  1.0
  Cu  Cu4  1  0.2  0.0  0.69  1.0
  Cu  Cu5  1  0.37  0.0  0.55  1.0
  Pt  Pt6  1  0.0  0.0  0.0  1.0
  Pt  Pt7  1  1.0  0.0  0.4  1.0
  Pt  Pt8  1  0.49  0.0  0.33  1.0

data_Cu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.87
_cell_length_c   7.96
_cell_angle_alpha   103.6
_cell_angle_beta   90.0
_cell_angle_gamma   103.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pt
_chemical_formula_sum   'Cu6 Pt3'
_cell_volume   120.35
_cell_formula_units_Z   3
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  0.09  0.1  1.0
  Cu  Cu1  1  0.0  0.42  0.17  1.0
  Cu  Cu2  1  0.0  0.63  0.45  1.0
  Cu  Cu3  1  0.0  0.71  0.97  1.0
  Cu  Cu4  1  0.0  0.8  0.31  1.0
  Cu  Cu5  1  0.0  0.88  0.82  1.0
  Pt  Pt6  1  0.0  0.0  0.0  1.0
  Pt  Pt7  1  0.0  0.0  0.6  1.0
  Pt  Pt8  1  0.0  0.51  0.67  1.0

Cu Cu Cu Cu Cu Cu Pt Pt Pt
PtCu2 crystallizes in the triclinic P1 space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(3) atom. The Pt(1)-Cu(1) bond length is 1.42 Å. The Pt(1)-Cu(2) bond length is 1.64 Å. The Pt(1)-Cu(3) bond length is 0.86 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(5), and one Cu(6) atom. The Pt(2)-Cu(1) bond length is 2.06 Å. The Pt(2)-Cu(5) bond length is 2.35 Å. The Pt(2)-Cu(6) bond length is 2.22 Å. In the third Pt site, Pt(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(6) atom. The Pt(3)-Cu(1) bond length is 2.22 Å. The Pt(3)-Cu(2) bond length is 2.35 Å. The Pt(3)-Cu(6) bond length is 2.06 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Pt(1), one Pt(2), one Pt(3), and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 1.65 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Pt(1), one Pt(3), one Cu(1), and one Cu(4) atom. The Cu(2)-Cu(4) bond length is 2.64 Å. In the third Cu site, Cu(3) is bonded in a single-bond geometry to one Pt(1) and one Cu(4) atom. The Cu(3)-Cu(4) bond length is 1.94 Å. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), one Cu(5), one Cu(6), and two equivalent Cu(4) atoms. The Cu(4)-Cu(5) bond length is 2.20 Å. The Cu(4)-Cu(6) bond length is 2.27 Å. Both Cu(4)-Cu(4) bond lengths are 2.73 Å. In the fifth Cu site, Cu(5) is bonded in a 2-coordinate geometry to one Pt(2), one Cu(4), and one Cu(6) atom. The Cu(5)-Cu(6) bond length is 1.65 Å. In the sixth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one Pt(2), one Pt(3), one Cu(4), and one Cu(5) atom.