data_CaIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.73
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIr2Pd
_chemical_formula_sum   'Ca1 Ir2 Pd1'
_cell_volume   66.86
_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  0.0  0.36  0.46  1.0
  Ir  Ir2  1  0.44  0.0  0.46  1.0
  Pd  Pd3  1  0.44  0.36  0.0  1.0

data_CaIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.73
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIr2Pd
_chemical_formula_sum   'Ca1 Ir2 Pd1'
_cell_volume   66.86
_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  0.0  0.36  0.46  1.0
  Ir  Ir2  1  0.44  0.0  0.46  1.0
  Pd  Pd3  1  0.44  0.36  0.0  1.0

Ca Ir Ir Pd
Ca Ir Ir Pd 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 1 2 - o o 1 2 o o o 1 3 - o o 1 3 o o o 
CaIr2Pd crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 2-coordinate geometry to three equivalent Ir(1), four equivalent Ir(2), and two equivalent Pd(1) atoms. There are a spread of Ca(1)-Ir(1) bond distances ranging from 2.83-3.76 Å. There are a spread of Ca(1)-Ir(2) bond distances ranging from 2.58-3.11 Å. There is one shorter (2.13 Å) and one longer (2.35 Å) Ca(1)-Pd(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 13-coordinate geometry to three equivalent Ca(1), two equivalent Ir(1), four equivalent Ir(2), and four equivalent Pd(1) atoms. Both Ir(1)-Ir(1) bond lengths are 2.88 Å. There are a spread of Ir(1)-Ir(2) bond distances ranging from 2.13-3.42 Å. There are a spread of Ir(1)-Pd(1) bond distances ranging from 2.58-3.11 Å. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and four equivalent Ir(1) atoms. Pd(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and four equivalent Ir(1) atoms.