data_CuPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   2.88
_cell_angle_alpha   105.39
_cell_angle_beta   105.39
_cell_angle_gamma   118.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt2Cl
_chemical_formula_sum   'Cu1 Pt2 Cl1'
_cell_volume   63.19
_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  Cu1  1  0.76  0.0  0.0  1.0
  Pt  Pt2  1  0.63  0.67  0.23  1.0
  Pt  Pt3  1  0.63  0.33  0.23  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CuPt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.7
_cell_length_c   5.42
_cell_angle_alpha   115.68
_cell_angle_beta   105.39
_cell_angle_gamma   90.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPt2Cl
_chemical_formula_sum   'Cu1 Pt2 Cl1'
_cell_volume   63.19
_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  0.76  1.0
  Pt  Pt1  1  0.56  0.33  0.96  1.0
  Pt  Pt2  1  0.89  0.67  0.29  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cu Pt Pt Cl
Cu Pt Pt Cl 0 3 + o o 0 1 o - o 0 1 o - - 1 2 o o o 1 3 + + + 
Pt2CuCl crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 5-coordinate geometry to one Pt(2), two equivalent Cu(1), and two equivalent Cl(1) atoms. The Pt(1)-Pt(2) bond length is 1.79 Å. There is one shorter (1.96 Å) and one longer (2.13 Å) Pt(1)-Cu(1) bond length. There is one shorter (2.06 Å) and one longer (2.37 Å) Pt(1)-Cl(1) bond length. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Pt(1), one Cu(1), and one Cl(1) atom. The Pt(2)-Cu(1) bond length is 2.25 Å. The Pt(2)-Cl(1) bond length is 2.73 Å. Cu(1) is bonded in a distorted single-bond geometry to one Pt(2), two equivalent Pt(1), and one Cl(1) atom. The Cu(1)-Cl(1) bond length is 1.33 Å. Cl(1) is bonded in a distorted single-bond geometry to one Pt(2), two equivalent Pt(1), and one Cu(1) atom.