data_PAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PAuSe2
_chemical_formula_sum   'P1 Au1 Se2'
_cell_volume   82.09
_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
  P  P1  1  0.0  0.0  0.66  1.0
  Au  Au0  1  0.93  0.93  0.92  1.0
  Se  Se2  1  0.93  0.93  0.78  1.0
  Se  Se3  1  0.0  0.0  0.38  1.0

data_PAuSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PAuSe2
_chemical_formula_sum   'P2 Au2 Se4'
_cell_volume   164.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  P  P0  2  0.0  0.0  0.66  1.0
  Au  Au1  2  0.43  0.5  0.92  1.0
  Se  Se2  2  0.0  0.0  0.38  1.0
  Se  Se3  2  0.43  0.5  0.78  1.0

P Au Se Se
P Au Se Se 0 2 - - o 0 3 o o o 1 2 o o o 
AuPSe2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AuPSe2 clusters. Au(1) is bonded in a distorted single-bond geometry to one Se(1) atom. The Au(1)-Se(1) bond length is 0.80 Å. P(1) is bonded in a bent 150 degrees geometry to one Se(1) and one Se(2) atom. The P(1)-Se(1) bond length is 0.72 Å. The P(1)-Se(2) bond length is 1.57 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a bent 150 degrees geometry to one Au(1) and one P(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one P(1) atom.