data_CaAlPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.8
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAlPt2
_chemical_formula_sum   'Ca1 Al1 Pt2'
_cell_volume   69.73
_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  0.1  0.4  0.13  1.0
  Al  Al0  1  0.16  0.0  0.85  1.0
  Pt  Pt2  1  0.62  0.0  0.36  1.0
  Pt  Pt3  1  0.61  0.4  0.72  1.0

data_CaAlPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.8
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAlPt2
_chemical_formula_sum   'Ca1 Al1 Pt2'
_cell_volume   69.73
_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  Ca0  1  0.1  0.4  0.13  1.0
  Al  Al1  1  0.16  0.0  0.85  1.0
  Pt  Pt2  1  0.61  0.4  0.72  1.0
  Pt  Pt3  1  0.62  0.0  0.36  1.0

Ca Al Pt Pt
Ca Al Pt Pt 0 2 - o o 0 2 o o o 0 3 - o - 0 3 o o - 0 1 o o - 1 3 - o o 1 3 o o o 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 1 + o o 2 3 o o o 2 2 + o o 
CaPt2Al crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), and one Al(1) atom. There is one shorter (2.43 Å) and one longer (2.49 Å) Ca(1)-Pt(2) bond length. There are a spread of Ca(1)-Pt(1) bond distances ranging from 2.65-3.47 Å. The Ca(1)-Al(1) bond length is 2.36 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(2), and four equivalent Al(1) atoms. The Pt(1)-Pt(2) bond length is 2.59 Å. There are a spread of Pt(1)-Al(1) bond distances ranging from 2.73-2.97 Å. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Pt(1), and two equivalent Al(1) atoms. There is one shorter (2.44 Å) and one longer (2.60 Å) Pt(2)-Al(1) bond length. Al(1) is bonded in a 2-coordinate geometry to one Ca(1), two equivalent Pt(2), and four equivalent Pt(1) atoms.