data_SiPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2Se
_chemical_formula_sum   'Si1 Pt2 Se1'
_cell_volume   64.35
_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  0.0  1.0
  Pt  Pt0  1  0.61  0.66  0.51  1.0
  Pt  Pt1  1  0.61  0.34  0.51  1.0
  Se  Se2  1  0.22  0.0  0.0  1.0

data_SiPt2Se
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.02
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   SiPt2Se
_chemical_formula_sum   'Si1 Pt2 Se1'
_cell_volume   64.38
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Pt  Pt1  2  0.5  0.34  0.39  1.0
  Se  Se2  1  0.0  0.0  0.78  1.0

Si Pt Pt Se
Si Pt Pt Se 0 3 o o o 1 2 o o o 
Pt2SiSe crystallizes in the monoclinic Pm space group. Pt(1) is bonded in a 5-coordinate geometry to one Pt(1), two equivalent Si(1), and two equivalent Se(1) atoms. The Pt(1)-Pt(1) bond length is 1.44 Å. There is one shorter (2.83 Å) and one longer (2.86 Å) Pt(1)-Si(1) bond length. There is one shorter (2.83 Å) and one longer (2.86 Å) Pt(1)-Se(1) bond length. Si(1) is bonded in a single-bond geometry to four equivalent Pt(1) and one Se(1) atom. The Si(1)-Se(1) bond length is 1.00 Å. Se(1) is bonded in a single-bond geometry to four equivalent Pt(1) and one Si(1) atom.