data_P2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   8.12
_cell_angle_alpha   153.26
_cell_angle_beta   153.26
_cell_angle_gamma   38.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Se
_chemical_formula_sum   'P4 Se2'
_cell_volume   108.37
_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  0.88  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.51  1.0
  P  P2  1  0.88  0.0  0.67  1.0
  P  P3  1  0.0  0.0  0.84  1.0
  Se  Se4  1  0.0  0.88  0.84  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

data_P2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   8.12
_cell_angle_alpha   103.37
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Se
_chemical_formula_sum   'P4 Se2'
_cell_volume   108.37
_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  0.13  0.13  1.0
  P  P1  1  0.51  0.51  0.51  1.0
  P  P2  1  0.67  0.79  0.79  1.0
  P  P3  1  0.84  0.84  0.84  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.96  0.84  0.96  1.0

P P P P Se Se
P P P P Se Se 0 5 + o o 1 2 - o o 1 3 o o o 2 3 + o o 4 5 o + + 