data_CaPt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.72
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPt2W
_chemical_formula_sum   'Ca1 Pt2 W1'
_cell_volume   74.76
_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
  Pt  Pt1  1  0.43  0.86  0.11  1.0
  Pt  Pt2  1  0.43  0.86  0.93  1.0
  W  W3  1  0.0  0.0  0.52  1.0

data_CaPt2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.72
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPt2W
_chemical_formula_sum   'Ca1 Pt2 W1'
_cell_volume   74.76
_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
  Pt  Pt1  1  0.43  0.86  0.11  1.0
  Pt  Pt2  1  0.43  0.86  0.93  1.0
  W  W3  1  0.0  0.0  0.52  1.0

Ca Pt Pt W
CaWPt2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 4-coordinate geometry to one W(1), two equivalent Pt(1), and two equivalent Pt(2) atoms. The Ca(1)-W(1) bond length is 3.38 Å. There is one shorter (1.54 Å) and one longer (1.88 Å) Ca(1)-Pt(1) bond length. There is one shorter (1.42 Å) and one longer (1.78 Å) Ca(1)-Pt(2) bond length. W(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent W(1), two equivalent Pt(1), and two equivalent Pt(2) atoms. There are two shorter (2.86 Å) and two longer (3.72 Å) W(1)-W(1) bond lengths. There is one shorter (3.19 Å) and one longer (3.37 Å) W(1)-Pt(1) bond length. There is one shorter (3.19 Å) and one longer (3.37 Å) W(1)-Pt(2) bond length. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1), two equivalent W(1), and one Pt(2) atom. The Pt(1)-Pt(2) bond length is 1.24 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1), two equivalent W(1), and one Pt(1) atom.