data_PaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaSe
_chemical_formula_sum   'Pa2 Se2'
_cell_volume   107.26
_cell_formula_units_Z   2
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
  Pa  Pa0  1  0.8  0.04  0.19  1.0
  Pa  Pa1  1  0.0  0.07  0.39  1.0
  Se  Se2  1  0.8  0.04  0.01  1.0
  Se  Se3  1  0.0  0.07  0.21  1.0

data_PaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaSe
_chemical_formula_sum   'Pa2 Se2'
_cell_volume   107.26
_cell_formula_units_Z   2
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
  Pa  Pa0  1  0.0  0.07  0.39  1.0
  Pa  Pa1  1  0.8  0.04  0.19  1.0
  Se  Se2  1  0.0  0.07  0.21  1.0
  Se  Se3  1  0.8  0.04  0.01  1.0

Pa Pa Se Se
Pa Pa Se Se 0 3 + o o 0 1 + o o 0 2 o o o 1 3 o o o 2 3 + o o 
PaSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PaSe cluster. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a distorted single-bond geometry to one Se(1) and one Se(2) atom. The Pa(1)-Se(1) bond length is 1.71 Å. The Pa(1)-Se(2) bond length is 0.70 Å. In the second Pa site, Pa(2) is bonded in a single-bond geometry to one Se(2) atom. The Pa(2)-Se(2) bond length is 1.71 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Pa(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Pa(1) and one Pa(2) atom.