data_PSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   6.96
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PSe3
_chemical_formula_sum   'P1 Se3'
_cell_volume   92.12
_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  0.0  0.0  0.0  1.0
  Se  Se1  1  0.36  0.48  0.31  1.0
  Se  Se2  1  0.42  0.0  0.59  1.0
  Se  Se3  1  0.04  0.48  0.86  1.0

data_PSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   5.3
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PSe3
_chemical_formula_sum   'P1 Se3'
_cell_volume   92.12
_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  0.0  0.0  0.0  1.0
  Se  Se1  1  0.58  0.41  0.0  1.0
  Se  Se2  1  0.64  0.69  0.52  1.0
  Se  Se3  1  0.96  0.14  0.52  1.0

P Se Se Se