data_AlPt4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPt4W
_chemical_formula_sum   'Al1 Pt4 W1'
_cell_volume   99.93
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.6  0.6  0.76  1.0
  Pt  Pt2  1  0.6  0.76  0.6  1.0
  Pt  Pt3  1  0.76  0.6  0.6  1.0
  Pt  Pt4  1  0.76  0.76  0.76  1.0
  W  W5  1  0.52  0.52  0.52  1.0

data_AlPt4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlPt4W
_chemical_formula_sum   'Al3 Pt12 W3'
_cell_volume   299.78
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Pt  Pt1  9  0.05  0.11  0.34  1.0
  Pt  Pt2  3  0.0  0.0  0.24  1.0
  W  W3  3  0.0  0.0  0.48  1.0

Al Pt Pt Pt Pt W
Al Pt Pt Pt Pt W 0 4 - - - 0 4 - - o 0 4 o - - 0 4 - o - 0 3 - - o 0 3 - o - 0 2 - - o 0 2 o - - 0 1 - o - 0 1 o - - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
WPt4Al crystallizes in the trigonal R3m space group. W(1) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms. All W(1)-Pt(1) bond lengths are 1.75 Å. All W(1)-Pt(2) bond lengths are 3.24 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to one W(1), one Pt(2), two equivalent Pt(1), and two equivalent Al(1) atoms. The Pt(1)-Pt(2) bond length is 1.47 Å. Both Pt(1)-Pt(1) bond lengths are 0.85 Å. Both Pt(1)-Al(1) bond lengths are 2.80 Å. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to three equivalent W(1), three equivalent Pt(1), and one Al(1) atom. The Pt(2)-Al(1) bond length is 3.01 Å. Al(1) is bonded to one Pt(2) and six equivalent Pt(1) atoms to form distorted corner-sharing AlPt7 hexagonal pyramids.