data_Pt2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2AuSe
_chemical_formula_sum   'Pt2 Au1 Se1'
_cell_volume   68.59
_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  Pt1  1  0.69  0.26  0.46  1.0
  Pt  Pt2  1  0.69  0.74  0.46  1.0
  Au  Au0  1  0.38  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pt2AuSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.92
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Pt2AuSe
_chemical_formula_sum   'Pt2 Au1 Se1'
_cell_volume   68.61
_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
  Pt  Pt0  2  0.46  0.26  0.69  1.0
  Au  Au1  1  0.0  0.0  0.38  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

Pt Pt Au Se
Pt2AuSe crystallizes in the monoclinic Pm space group. Pt(1) is bonded in a 5-coordinate geometry to one Pt(1), two equivalent Au(1), and two equivalent Se(1) atoms. The Pt(1)-Pt(1) bond length is 2.30 Å. There is one shorter (2.37 Å) and one longer (2.52 Å) Pt(1)-Au(1) bond length. There is one shorter (2.37 Å) and one longer (2.52 Å) Pt(1)-Se(1) bond length. Au(1) is bonded in a 5-coordinate geometry to four equivalent Pt(1) and one Se(1) atom. The Au(1)-Se(1) bond length is 1.87 Å. Se(1) is bonded in a 5-coordinate geometry to four equivalent Pt(1) and one Au(1) atom.