data_Cu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Pt
_chemical_formula_sum   'Cu4 Pt2'
_cell_volume   77.28
_cell_formula_units_Z   2
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  0.23  0.54  0.54  1.0
  Cu  Cu1  1  0.54  0.23  0.54  1.0
  Cu  Cu2  1  0.54  0.54  0.23  1.0
  Cu  Cu3  1  0.23  0.23  0.23  1.0
  Pt  Pt4  1  0.69  0.69  0.69  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

data_Cu2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu2Pt
_chemical_formula_sum   'Cu12 Pt6'
_cell_volume   231.85
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.21  0.1  0.57  1.0
  Cu  Cu1  3  0.0  0.0  0.77  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.31  1.0

Cu Cu Cu Cu Pt Pt
PtCu2 crystallizes in the trigonal R3m space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a trigonal non-coplanar geometry to three equivalent Pt(2), three equivalent Cu(1), and three equivalent Cu(2) atoms. All Pt(1)-Pt(2) bond lengths are 2.77 Å. All Pt(1)-Cu(1) bond lengths are 2.10 Å. All Pt(1)-Cu(2) bond lengths are 3.16 Å. In the second Pt site, Pt(2) is bonded in a 16-coordinate geometry to three equivalent Pt(1), four equivalent Cu(2), and nine equivalent Cu(1) atoms. There is one shorter (2.65 Å) and three longer (3.03 Å) Pt(2)-Cu(2) bond lengths. There are six shorter (2.71 Å) and three longer (3.34 Å) Pt(2)-Cu(1) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Pt(1), three equivalent Pt(2), two equivalent Cu(1), and three equivalent Cu(2) atoms. Both Cu(1)-Cu(1) bond lengths are 1.48 Å. There is one shorter (2.56 Å) and two longer (2.86 Å) Cu(1)-Cu(2) bond lengths. In the second Cu site, Cu(2) is bonded in a 16-coordinate geometry to three equivalent Pt(1), four equivalent Pt(2), and nine equivalent Cu(1) atoms.