data_CdPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   146.26
_cell_angle_beta   111.48
_cell_angle_gamma   78.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPtBr2
_chemical_formula_sum   'Cd1 Pt1 Br2'
_cell_volume   122.2
_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
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.82  1.0
  Br  Br0  1  0.81  0.0  0.12  1.0
  Br  Br1  1  0.0  0.51  0.7  1.0

data_CdPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   68.52
_cell_angle_beta   73.13
_cell_angle_gamma   73.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPtBr2
_chemical_formula_sum   'Cd1 Pt1 Br2'
_cell_volume   122.2
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.82  1.0
  Br  Br2  1  0.0  0.19  0.12  1.0
  Br  Br3  1  0.51  0.0  0.19  1.0

Cd Pt Br Br
PtCdBr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PtCdBr2 cluster. Pt(1) is bonded in a single-bond geometry to one Cd(1) atom. The Pt(1)-Cd(1) bond length is 1.12 Å. Cd(1) is bonded in a 3-coordinate geometry to one Pt(1), one Br(1), and one Br(2) atom. The Cd(1)-Br(1) bond length is 1.64 Å. The Cd(1)-Br(2) bond length is 1.84 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Cd(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Cd(1) atom.