data_CaIr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   131.46
_cell_angle_beta   131.46
_cell_angle_gamma   71.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIr2Pt
_chemical_formula_sum   'Ca1 Ir2 Pt1'
_cell_volume   66.97
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.04  0.0  0.02  1.0
  Ir  Ir2  1  0.0  0.0  0.03  1.0
  Pt  Pt3  1  0.0  0.04  0.02  1.0

data_CaIr2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.96
_cell_angle_alpha   114.27
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIr2Pt
_chemical_formula_sum   'Ca1 Ir2 Pt1'
_cell_volume   66.97
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.97  0.0  0.97  1.0
  Ir  Ir2  1  0.98  0.0  0.02  1.0
  Pt  Pt3  1  0.02  0.04  0.02  1.0

Ca Ir Ir Pt
Ca Ir Ir Pt 0 3 o o o 0 1 o o o 0 2 o o o 
CaIr2Pt is Ammonia-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaIr2Pt cluster. Ca(1) is bonded in a trigonal non-coplanar geometry to one Ir(1), one Ir(2), and one Pt(1) atom. The Ca(1)-Ir(1) bond length is 0.14 Å. The Ca(1)-Ir(2) bond length is 0.17 Å. The Ca(1)-Pt(1) bond length is 0.14 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ca(1) atom. Pt(1) is bonded in a single-bond geometry to one Ca(1) atom.