data_CaPd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPd2W
_chemical_formula_sum   'Ca1 Pd2 W1'
_cell_volume   70.57
_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
  Pd  Pd1  1  0.0  0.49  0.43  1.0
  Pd  Pd2  1  0.49  0.0  0.43  1.0
  W  W3  1  0.49  0.49  0.0  1.0

data_CaPd2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaPd2W
_chemical_formula_sum   'Ca2 Pd4 W2'
_cell_volume   141.14
_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  0.0  1.0
  Pd  Pd1  4  0.24  0.24  0.43  1.0
  W  W2  2  0.49  0.0  0.0  1.0

Ca Pd Pd W
CaWPd2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent W(1) and eight equivalent Pd(1) atoms. There are a spread of Ca(1)-W(1) bond distances ranging from 3.43-3.60 Å. There are a spread of Ca(1)-Pd(1) bond distances ranging from 2.71-3.03 Å. W(1) is bonded in a 14-coordinate geometry to four equivalent Ca(1), two equivalent W(1), and eight equivalent Pd(1) atoms. Both W(1)-W(1) bond lengths are 2.85 Å. There are a spread of W(1)-Pd(1) bond distances ranging from 2.71-3.03 Å. Pd(1) is bonded in a 10-coordinate geometry to four equivalent Ca(1), four equivalent W(1), and two equivalent Pd(1) atoms. Both Pd(1)-Pd(1) bond lengths are 2.85 Å.