data_P2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2Se
_chemical_formula_sum   'P16 Se8'
_cell_volume   495.02
_cell_formula_units_Z   8
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  0.57  0.57  0.57  1.0
  P  P1  1  0.71  0.71  0.57  1.0
  P  P2  1  0.71  0.57  0.71  1.0
  P  P3  1  0.57  0.71  0.71  1.0
  P  P4  1  0.28  0.28  0.6  1.0
  P  P5  1  0.28  0.6  0.28  1.0
  P  P6  1  0.96  0.28  0.28  1.0
  P  P7  1  0.6  0.28  0.28  1.0
  P  P8  1  0.28  0.96  0.28  1.0
  P  P9  1  0.28  0.28  0.96  1.0
  P  P10  1  0.42  0.42  0.1  1.0
  P  P11  1  0.42  0.1  0.42  1.0
  P  P12  1  0.74  0.42  0.42  1.0
  P  P13  1  0.1  0.42  0.42  1.0
  P  P14  1  0.42  0.74  0.42  1.0
  P  P15  1  0.42  0.42  0.74  1.0
  Se  Se16  1  0.43  0.41  0.41  1.0
  Se  Se17  1  0.41  0.43  0.41  1.0
  Se  Se18  1  0.41  0.41  0.43  1.0
  Se  Se19  1  0.43  0.43  0.43  1.0
  Se  Se20  1  0.27  0.29  0.29  1.0
  Se  Se21  1  0.29  0.27  0.29  1.0
  Se  Se22  1  0.29  0.29  0.27  1.0
  Se  Se23  1  0.27  0.27  0.27  1.0

data_P2Se
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   21.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   P2Se
_chemical_formula_sum   'P48 Se24'
_cell_volume   1485.05
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.09  0.05  0.34  1.0
  P  P1  9  0.11  0.22  0.61  1.0
  P  P2  9  0.11  0.22  0.47  1.0
  P  P3  9  0.22  0.11  0.83  1.0
  P  P4  9  0.22  0.11  0.69  1.0
  P  P5  3  0.0  0.0  0.43  1.0
  Se  Se6  9  0.0  0.01  0.58  1.0
  Se  Se7  9  0.01  0.0  0.72  1.0
  Se  Se8  3  0.0  0.0  0.57  1.0
  Se  Se9  3  0.0  0.0  0.73  1.0

P P P P P P P P P P P P P P P P Se Se Se Se Se Se Se Se