data_CaPd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.77
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPd2W
_chemical_formula_sum   'Ca1 Pd2 W1'
_cell_volume   74.42
_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  0.42  0.89  0.03  1.0
  Pd  Pd2  1  0.36  0.89  0.81  1.0
  W  W3  1  0.95  0.0  0.42  1.0

data_CaPd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.77
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPd2W
_chemical_formula_sum   'Ca1 Pd2 W1'
_cell_volume   74.42
_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  0.36  0.89  0.81  1.0
  Pd  Pd2  1  0.42  0.89  0.03  1.0
  W  W3  1  0.95  0.0  0.42  1.0

Ca Pd Pd W
CaWPd2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 3-coordinate geometry to one W(1), one Pd(2), and two equivalent Pd(1) atoms. The Ca(1)-W(1) bond length is 2.89 Å. The Ca(1)-Pd(2) bond length is 1.71 Å. There is one shorter (1.30 Å) and one longer (1.73 Å) Ca(1)-Pd(1) bond length. W(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent W(1), two equivalent Pd(1), and two equivalent Pd(2) atoms. There are two shorter (2.88 Å) and two longer (3.77 Å) W(1)-W(1) bond lengths. There is one shorter (3.06 Å) and one longer (3.10 Å) W(1)-Pd(1) bond length. There is one shorter (2.95 Å) and one longer (3.23 Å) W(1)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ca(1) and two equivalent W(1) atoms. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to one Ca(1) and two equivalent W(1) atoms.