data_CaBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   30.8
_cell_angle_beta   30.8
_cell_angle_gamma   30.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBPt2
_chemical_formula_sum   'Ca1 B1 Pt2'
_cell_volume   69.75
_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
  Ca  Ca1  1  0.0  0.0  0.56  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.67  1.0
  Pt  Pt3  1  0.0  0.0  0.44  1.0

data_CaBPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   3.56
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaBPt2
_chemical_formula_sum   'Ca2 B2 Pt4'
_cell_volume   139.49
_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
  Ca  Ca0  2  0.0  0.0  0.44  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.33  1.0
  Pt  Pt3  2  0.0  0.0  0.56  1.0

Ca B Pt Pt
Ca B Pt Pt 0 3 o o o 0 2 o o o 1 2 o o - 
CaPt2B is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaPt2B clusters. Ca(1) is bonded in a linear geometry to one Pt(1) and one Pt(2) atom. The Ca(1)-Pt(1) bond length is 0.75 Å. The Ca(1)-Pt(2) bond length is 0.75 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Ca(1) and one B(1) atom. The Pt(1)-B(1) bond length is 2.21 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Ca(1) atom. B(1) is bonded in a single-bond geometry to one Pt(1) atom.