data_P2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   115.83
_cell_angle_beta   115.83
_cell_angle_gamma   97.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Se
_chemical_formula_sum   'P4 Se2'
_cell_volume   111.55
_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  0.75  0.07  0.0  1.0
  P  P1  1  0.07  0.75  0.51  1.0
  P  P2  1  0.57  0.75  0.0  1.0
  P  P3  1  0.25  0.07  0.51  1.0
  Se  Se4  1  0.0  0.0  0.26  1.0
  Se  Se5  1  0.0  0.0  0.75  1.0

data_P2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   97.38
_cell_angle_beta   115.83
_cell_angle_gamma   115.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Se
_chemical_formula_sum   'P4 Se2'
_cell_volume   111.55
_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  0.0  0.57  0.75  1.0
  P  P1  1  0.0  0.75  0.07  1.0
  P  P2  1  0.51  0.07  0.75  1.0
  P  P3  1  0.51  0.25  0.07  1.0
  Se  Se4  1  0.26  0.0  0.0  1.0
  Se  Se5  1  0.75  0.0  0.0  1.0

P P P P Se Se