data_PSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65
_cell_length_b   11.65
_cell_length_c   11.65
_cell_angle_alpha   163.2
_cell_angle_beta   163.19
_cell_angle_gamma   23.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PSe2
_chemical_formula_sum   'P2 Se4'
_cell_volume   132.07
_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
  P  P0  1  0.7  0.85  0.43  1.0
  P  P1  1  0.0  0.85  0.97  1.0
  Se  Se2  1  0.0  0.55  0.83  1.0
  Se  Se3  1  0.7  0.15  0.57  1.0
  Se  Se4  1  0.0  0.55  0.56  1.0
  Se  Se5  1  0.7  0.15  0.84  1.0

data_PSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   11.65
_cell_angle_alpha   98.4
_cell_angle_beta   98.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PSe2
_chemical_formula_sum   'P2 Se4'
_cell_volume   132.07
_cell_formula_units_Z   2
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
  P  P0  2  0.12  0.27  0.12  1.0
  Se  Se1  2  0.02  0.57  0.72  1.0
  Se  Se2  2  0.29  0.85  0.99  1.0

P P Se Se Se Se