data_AlSi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi2Pt
_chemical_formula_sum   'Al1 Si2 Pt1'
_cell_volume   60.45
_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
  Si  Si2  1  0.45  0.45  0.29  1.0
  Si  Si3  1  0.45  0.45  0.88  1.0
  Pt  Pt1  1  0.0  0.0  0.59  1.0

data_AlSi2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSi2Pt
_chemical_formula_sum   'Al2 Si4 Pt2'
_cell_volume   120.9
_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  0.0  0.0  0.0  1.0
  Si  Si1  2  0.45  0.0  0.29  1.0
  Si  Si2  2  0.45  0.0  0.88  1.0
  Pt  Pt3  2  0.0  0.0  0.59  1.0

Al Si Si Pt
Al Si Si Pt 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 o o - 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
PtAlSi2 crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a 13-coordinate geometry to four equivalent Pt(1), one Al(1), four equivalent Si(1), and four equivalent Si(2) atoms. All Pt(1)-Pt(1) bond lengths are 2.90 Å. The Pt(1)-Al(1) bond length is 2.97 Å. There are a spread of Pt(1)-Si(1) bond distances ranging from 2.83-3.11 Å. There are a spread of Pt(1)-Si(2) bond distances ranging from 2.83-3.11 Å. Al(1) is bonded in a 4-coordinate geometry to one Pt(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are a spread of Al(1)-Si(1) bond distances ranging from 2.77-3.05 Å. There are a spread of Al(1)-Si(2) bond distances ranging from 2.03-2.40 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 13-coordinate geometry to four equivalent Pt(1), four equivalent Al(1), one Si(2), and four equivalent Si(1) atoms. The Si(1)-Si(2) bond length is 2.88 Å. All Si(1)-Si(1) bond lengths are 2.90 Å. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to four equivalent Pt(1), four equivalent Al(1), and one Si(1) atom.