data_SiTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.25
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTePt2
_chemical_formula_sum   'Si1 Te1 Pt2'
_cell_volume   72.16
_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  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.67  1.0
  Pt  Pt0  1  0.51  0.63  0.96  1.0
  Pt  Pt1  1  0.51  0.63  0.39  1.0

data_SiTePt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.02
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SiTePt2
_chemical_formula_sum   'Si1 Te1 Pt2'
_cell_volume   72.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Si0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.67  1.0
  Pt  Pt2  1  0.63  0.5  0.39  1.0
  Pt  Pt3  1  0.63  0.5  0.96  1.0

Si Te Pt Pt
Pt2SiTe crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Pt(2), four equivalent Si(1), and four equivalent Te(1) atoms. The Pt(1)-Pt(2) bond length is 3.13 Å. There are a spread of Pt(1)-Si(1) bond distances ranging from 1.94-2.57 Å. There are a spread of Pt(1)-Te(1) bond distances ranging from 2.85-3.31 Å. In the second Pt site, Pt(2) is bonded in a 9-coordinate geometry to one Pt(1), four equivalent Pt(2), and four equivalent Te(1) atoms. There are two shorter (3.02 Å) and two longer (3.25 Å) Pt(2)-Pt(2) bond lengths. There are a spread of Pt(2)-Te(1) bond distances ranging from 2.85-3.31 Å. Si(1) is bonded to four equivalent Pt(1) and one Te(1) atom to form a mixture of distorted edge and corner-sharing SiTePt4 square pyramids. The Si(1)-Te(1) bond length is 2.40 Å. Te(1) is bonded in a 13-coordinate geometry to four equivalent Pt(1), four equivalent Pt(2), one Si(1), and four equivalent Te(1) atoms. There are two shorter (3.02 Å) and two longer (3.25 Å) Te(1)-Te(1) bond lengths.