data_P3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Se4
_chemical_formula_sum   'P3 Se4'
_cell_volume   138.03
_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  0.17  0.03  0.61  1.0
  P  P1  1  0.35  0.0  0.61  1.0
  P  P2  1  0.83  0.03  0.61  1.0
  Se  Se3  1  0.0  0.0  0.88  1.0
  Se  Se4  1  0.0  0.0  0.35  1.0
  Se  Se5  1  0.0  0.71  0.0  1.0
  Se  Se6  1  0.35  0.36  0.0  1.0

data_P3Se4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Se4
_chemical_formula_sum   'P3 Se4'
_cell_volume   138.03
_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  0.17  0.03  0.61  1.0
  P  P1  1  0.35  0.0  0.61  1.0
  P  P2  1  0.83  0.03  0.61  1.0
  Se  Se3  1  0.0  0.0  0.35  1.0
  Se  Se4  1  0.0  0.0  0.88  1.0
  Se  Se5  1  0.0  0.71  -0.0  1.0
  Se  Se6  1  0.35  0.36  -0.0  1.0

P P P Se Se Se Se