data_Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   123.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Se
_chemical_formula_sum   Se2
_cell_volume   49.82
_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
  Se  Se0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.53  0.97  1.0

data_Se
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.88
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   76.91
_cell_angle_beta   61.58
_cell_angle_gamma   61.58
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Se
_chemical_formula_sum   Se2
_cell_volume   49.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Se  Se0  2  0.28  0.48  0.23  1.0

Se Se
Se 0 0 + o o 