data_Pt2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.93
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2AuSe
_chemical_formula_sum   'Pt2 Au1 Se1'
_cell_volume   69.1
_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  0.42  0.46  0.0  1.0
  Pt  Pt2  1  0.0  0.46  0.48  1.0
  Au  Au0  1  0.42  0.0  0.48  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pt2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.93
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2AuSe
_chemical_formula_sum   'Pt2 Au1 Se1'
_cell_volume   69.1
_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  0.46  0.48  1.0
  Pt  Pt1  1  0.42  0.46  -0.0  1.0
  Au  Au2  1  0.42  0.0  0.48  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Pt Pt Au Se
Pt2AuSe crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to four equivalent Pt(2) and four equivalent Se(1) atoms. There are a spread of Pt(1)-Pt(2) bond distances ranging from 2.64-3.07 Å. There are a spread of Pt(1)-Se(1) bond distances ranging from 2.57-3.12 Å. In the second Pt site, Pt(2) is bonded in a 10-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), and four equivalent Au(1) atoms. Both Pt(2)-Pt(2) bond lengths are 2.83 Å. There are a spread of Pt(2)-Au(1) bond distances ranging from 2.57-3.12 Å. Au(1) is bonded in a 10-coordinate geometry to four equivalent Pt(2), two equivalent Au(1), and four equivalent Se(1) atoms. Both Au(1)-Au(1) bond lengths are 2.83 Å. There are a spread of Au(1)-Se(1) bond distances ranging from 2.64-3.07 Å. Se(1) is bonded in a 10-coordinate geometry to four equivalent Pt(1), four equivalent Au(1), and two equivalent Se(1) atoms. Both Se(1)-Se(1) bond lengths are 2.83 Å.