data_CaPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdW2
_chemical_formula_sum   'Ca1 Pd1 W2'
_cell_volume   77.45
_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  0.69  1.0
  Pd  Pd1  1  0.63  0.63  0.69  1.0
  W  W2  1  0.0  0.0  0.15  1.0
  W  W3  1  0.63  0.63  0.38  1.0

data_CaPdW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaPdW2
_chemical_formula_sum   'Ca2 Pd2 W4'
_cell_volume   154.9
_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  0.69  1.0
  Pd  Pd1  2  0.13  0.5  0.69  1.0
  W  W2  2  0.0  0.0  0.15  1.0
  W  W3  2  0.13  0.5  0.38  1.0

Ca Pd W W
Ca Pd W W 0 1 - - o 0 3 - - o 1 3 o o o 2 3 - - o 2 3 - o o 2 3 o - o 
CaW2Pd crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 1-coordinate geometry to one W(1) and four equivalent Pd(1) atoms. The Ca(1)-W(1) bond length is 3.36 Å. There are a spread of Ca(1)-Pd(1) bond distances ranging from 1.70-2.92 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one Ca(1) and one W(2) atom. The W(1)-W(2) bond length is 2.38 Å. In the second W site, W(2) is bonded in a 1-coordinate geometry to one W(1) and one Pd(1) atom. The W(2)-Pd(1) bond length is 2.25 Å. Pd(1) is bonded in a 5-coordinate geometry to four equivalent Ca(1) and one W(2) atom.