data_Pt5Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.75
_cell_angle_alpha   107.8
_cell_angle_beta   107.8
_cell_angle_gamma   29.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt5Se
_chemical_formula_sum   'Pt5 Se1'
_cell_volume   96.8
_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
  Pt  Pt0  1  0.33  0.0  0.35  1.0
  Pt  Pt1  1  0.93  0.0  0.2  1.0
  Pt  Pt2  1  0.28  0.0  0.05  1.0
  Pt  Pt3  1  0.15  0.0  0.29  1.0
  Pt  Pt4  1  0.46  0.0  0.11  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

data_Pt5Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.55
_cell_length_c   6.75
_cell_angle_alpha   107.8
_cell_angle_beta   90.0
_cell_angle_gamma   104.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt5Se
_chemical_formula_sum   'Pt5 Se1'
_cell_volume   96.8
_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
  Pt  Pt0  1  0.0  0.07  0.8  1.0
  Pt  Pt1  1  0.0  0.54  0.89  1.0
  Pt  Pt2  1  0.0  0.67  0.65  1.0
  Pt  Pt3  1  0.0  0.72  0.95  1.0
  Pt  Pt4  1  0.0  0.85  0.71  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

Pt Pt Pt Pt Pt Se
Pt5Se crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Pt5Se cluster. There are five inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Pt(4) atom. The Pt(1)-Pt(4) bond length is 0.93 Å. In the second Pt site, Pt(2) is bonded in a 2-coordinate geometry to one Pt(4) and one Se(1) atom. The Pt(2)-Pt(4) bond length is 1.19 Å. The Pt(2)-Se(1) bond length is 1.51 Å. In the third Pt site, Pt(3) is bonded in a linear geometry to one Pt(5) and one Se(1) atom. The Pt(3)-Pt(5) bond length is 0.93 Å. The Pt(3)-Se(1) bond length is 1.51 Å. In the fourth Pt site, Pt(4) is bonded in a 2-coordinate geometry to one Pt(1) and one Pt(2) atom. In the fifth Pt site, Pt(5) is bonded in a single-bond geometry to one Pt(3) atom. Se(1) is bonded in a distorted water-like geometry to one Pt(2) and one Pt(3) atom.