data_SiMoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoPt2
_chemical_formula_sum   'Si1 Mo1 Pt2'
_cell_volume   59.74
_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  Si3  1  0.0  0.0  0.44  1.0
  Mo  Mo0  1  0.46  0.46  0.12  1.0
  Pt  Pt1  1  0.0  0.0  0.86  1.0
  Pt  Pt2  1  0.46  0.46  0.07  1.0

data_SiMoPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiMoPt2
_chemical_formula_sum   'Si2 Mo2 Pt4'
_cell_volume   119.48
_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  0.0  0.0  0.44  1.0
  Mo  Mo1  2  0.46  0.0  0.12  1.0
  Pt  Pt2  2  0.0  0.0  0.86  1.0
  Pt  Pt3  2  0.46  0.0  0.07  1.0

Si Mo Pt Pt
Si Mo Pt Pt 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 0 2 o o o 1 3 o o o 1 2 + + - 1 2 + o - 1 2 o + - 1 2 o o - 2 3 - - + 2 3 - o + 2 3 o - + 2 3 o o + 2 2 + o o 2 2 o + o 
MoPt2Si crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a single-bond geometry to one Pt(2) and four equivalent Si(1) atoms. The Mo(1)-Pt(2) bond length is 0.32 Å. There are a spread of Mo(1)-Si(1) bond distances ranging from 2.94-3.16 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), and one Si(1) atom. All Pt(1)-Pt(1) bond lengths are 2.92 Å. There are a spread of Pt(1)-Pt(2) bond distances ranging from 2.42-2.68 Å. The Pt(1)-Si(1) bond length is 2.95 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Mo(1) and four equivalent Pt(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1), one Pt(1), and four equivalent Si(1) atoms. All Si(1)-Si(1) bond lengths are 2.92 Å.