data_Cu4PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4PPt
_chemical_formula_sum   'Cu4 P1 Pt1'
_cell_volume   79.15
_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  0.26  0.56  0.26  1.0
  Cu  Cu1  1  0.56  0.26  0.26  1.0
  Cu  Cu2  1  0.56  0.56  0.56  1.0
  Cu  Cu3  1  0.26  0.26  0.56  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.11  0.11  0.11  1.0

data_Cu4PPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu4PPt
_chemical_formula_sum   'Cu12 P3 Pt3'
_cell_volume   237.46
_cell_formula_units_Z   3
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  0.1  0.2  0.64  1.0
  Cu  Cu1  3  0.0  0.0  0.44  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.89  1.0

Cu Cu Cu Cu P Pt
Cu Cu Cu Cu P Pt 0 3 o o o 0 1 o o o 0 2 o o o 0 2 o o - 0 2 - o o 1 3 o o o 1 2 o o o 1 2 o o - 1 2 o - o 2 3 o o o 2 3 o + o 2 3 + o o 2 5 o o + 2 5 o + o 2 5 + o o 2 4 o + + 2 4 + o + 2 4 + + o 4 5 o o o 
PtCu4P crystallizes in the trigonal R3m space group. Pt(1) is bonded in a single-bond geometry to three equivalent Cu(1), three equivalent Cu(2), and one P(1) atom. All Pt(1)-Cu(1) bond lengths are 2.21 Å. All Pt(1)-Cu(2) bond lengths are 3.08 Å. The Pt(1)-P(1) bond length is 1.32 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Pt(1), two equivalent Cu(1), three equivalent Cu(2), and one P(1) atom. Both Cu(1)-Cu(1) bond lengths are 1.43 Å. There is one shorter (2.48 Å) and two longer (2.95 Å) Cu(1)-Cu(2) bond lengths. The Cu(1)-P(1) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded in a 15-coordinate geometry to three equivalent Pt(1), nine equivalent Cu(1), and three equivalent P(1) atoms. All Cu(2)-P(1) bond lengths are 3.07 Å. P(1) is bonded to one Pt(1), three equivalent Cu(1), and three equivalent Cu(2) atoms to form distorted corner-sharing PCu6Pt trigonal pyramids.