data_PAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   154.6
_cell_angle_beta   154.6
_cell_angle_gamma   36.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PAuSe2
_chemical_formula_sum   'P1 Au1 Se2'
_cell_volume   102.33
_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  0.0  1.0
  Au  Au0  1  0.0  0.81  0.91  1.0
  Se  Se2  1  0.81  0.0  0.91  1.0
  Se  Se3  1  0.0  0.0  0.82  1.0

data_PAuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.23
_cell_angle_alpha   102.7
_cell_angle_beta   102.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PAuSe2
_chemical_formula_sum   'P1 Au1 Se2'
_cell_volume   102.33
_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  P0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.9  0.81  0.9  1.0
  Se  Se2  1  0.09  0.0  0.9  1.0
  Se  Se3  1  0.18  0.0  0.18  1.0

P Au Se Se