data_CSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22
_cell_length_b   3.15
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CSe
_chemical_formula_sum   'C4 Se4'
_cell_volume   124.0
_cell_formula_units_Z   4
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
  C  C0  1  0.61  0.36  0.24  1.0
  C  C1  1  0.5  0.79  0.84  1.0
  C  C2  1  0.72  0.36  0.96  1.0
  C  C3  1  0.61  0.79  0.56  1.0
  Se  Se4  1  0.29  0.36  0.41  1.0
  Se  Se5  1  0.82  0.79  0.8  1.0
  Se  Se6  1  0.4  0.36  0.99  1.0
  Se  Se7  1  0.93  0.79  0.39  1.0

data_CSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.15
_cell_length_b   4.79
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CSe
_chemical_formula_sum   'C4 Se4'
_cell_volume   124.0
_cell_formula_units_Z   4
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
  C  C0  2  0.29  0.56  0.61  1.0
  Se  Se1  2  0.29  0.59  0.29  1.0
  Se  Se2  2  0.29  0.01  0.18  1.0
  C  C3  2  0.29  0.84  0.5  1.0

C C C C Se Se Se Se
C C C C Se Se Se Se 0 2 o o - 0 4 o o o 0 6 o o - 1 6 o o o 1 6 o + o 1 3 o o o 2 5 o o o 2 5 o - o 3 5 o o o 3 7 o o o 4 6 o o - 5 7 o o o 