data_Al2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PPt
_chemical_formula_sum   'Al2 P1 Pt1'
_cell_volume   59.42
_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
  Al  Al0  1  0.64  0.64  0.18  1.0
  Al  Al1  1  0.64  0.64  0.34  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.76  1.0

data_Al2PPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2PPt
_chemical_formula_sum   'Al4 P2 Pt2'
_cell_volume   118.83
_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
  Al  Al0  2  0.14  0.5  0.18  1.0
  Al  Al1  2  0.14  0.5  0.34  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.76  1.0

Al Al P Pt
Al Al P Pt 0 1 o o o 2 3 o o - 
PtAl2P crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a distorted single-bond geometry to one Al(2) and one P(1) atom. The Pt(1)-Al(2) bond length is 2.86 Å. The Pt(1)-P(1) bond length is 1.33 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Al(2) and three equivalent P(1) atoms. The Al(1)-Al(2) bond length is 0.87 Å. There is one shorter (1.94 Å) and two longer (2.61 Å) Al(1)-P(1) bond lengths. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Pt(1) and one Al(1) atom. P(1) is bonded in a 4-coordinate geometry to one Pt(1) and three equivalent Al(1) atoms.