data_CuPt3
_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   132.01
_cell_angle_beta   132.01
_cell_angle_gamma   70.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt3
_chemical_formula_sum   'Cu1 Pt3'
_cell_volume   59.42
_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
  Pt  Pt1  1  0.0  0.95  0.96  1.0
  Pt  Pt2  1  0.95  0.0  0.96  1.0
  Pt  Pt3  1  0.0  0.0  0.92  1.0

data_CuPt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   125.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuPt3
_chemical_formula_sum   'Cu2 Pt6'
_cell_volume   118.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pt  Pt1  4  0.03  0.03  0.01  1.0
  Pt  Pt2  2  0.0  0.0  0.92  1.0

Cu Pt Pt Pt
Pt3Cu is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Pt3Cu clusters. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Pt(2) and one Cu(1) atom. The Pt(1)-Pt(2) bond length is 0.41 Å. The Pt(1)-Cu(1) bond length is 0.19 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to two equivalent Pt(1) and one Cu(1) atom. The Pt(2)-Cu(1) bond length is 0.39 Å. Cu(1) is bonded in a water-like geometry to one Pt(2) and two equivalent Pt(1) atoms.