data_Si2SbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbPt
_chemical_formula_sum   'Si2 Sb1 Pt1'
_cell_volume   72.34
_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
  Si  Si2  1  0.6  0.6  0.14  1.0
  Si  Si3  1  0.6  0.6  0.91  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.52  1.0

data_Si2SbPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SbPt
_chemical_formula_sum   'Si4 Sb2 Pt2'
_cell_volume   144.67
_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
  Si  Si0  2  0.1  0.5  0.14  1.0
  Si  Si1  2  0.1  0.5  0.91  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.52  1.0

Si Si Sb Pt
Si Si Sb Pt 0 1 o o - 0 2 + + o 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 2 + + + 1 2 + o + 1 2 o + + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 2 3 o o - 3 3 + o o 3 3 o + o 
PtSi2Sb crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a 7-coordinate geometry to four equivalent Pt(1), one Si(1), one Si(2), and one Sb(1) atom. All Pt(1)-Pt(1) bond lengths are 3.20 Å. The Pt(1)-Si(1) bond length is 3.25 Å. The Pt(1)-Si(2) bond length is 3.25 Å. The Pt(1)-Sb(1) bond length is 3.35 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to one Pt(1), one Si(2), and four equivalent Sb(1) atoms. The Si(1)-Si(2) bond length is 1.64 Å. There are a spread of Si(1)-Sb(1) bond distances ranging from 2.06-2.90 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to one Pt(1), one Si(1), and four equivalent Sb(1) atoms. There are a spread of Si(2)-Sb(1) bond distances ranging from 1.92-2.80 Å. Sb(1) is bonded in a 9-coordinate geometry to one Pt(1), four equivalent Si(1), and four equivalent Si(2) atoms.