data_C2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   5.94
_cell_length_c   7.06
_cell_angle_alpha   59.87
_cell_angle_beta   51.59
_cell_angle_gamma   68.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C2Se3
_chemical_formula_sum   'C4 Se6'
_cell_volume   186.06
_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
  C  C0  1  0.61  0.74  0.71  1.0
  C  C1  1  0.98  0.62  0.71  1.0
  C  C2  1  0.68  0.43  0.59  1.0
  C  C3  1  0.91  0.94  0.59  1.0
  Se  Se4  1  0.67  0.48  0.68  1.0
  Se  Se5  1  0.51  0.25  0.68  1.0
  Se  Se6  1  0.81  0.16  0.57  1.0
  Se  Se7  1  0.37  0.57  0.57  1.0
  Se  Se8  1  0.29  0.68  0.57  1.0
  Se  Se9  1  0.59  0.36  0.68  1.0

data_C2Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   6.56
_cell_angle_alpha   111.47
_cell_angle_beta   111.47
_cell_angle_gamma   101.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C2Se3
_chemical_formula_sum   'C4 Se6'
_cell_volume   186.06
_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  0.57  0.43  0.94  1.0
  Se  Se1  1  0.57  0.84  0.37  1.0
  Se  Se2  1  0.57  0.32  0.87  1.0
  C  C3  1  0.59  0.06  0.5  1.0
  C  C4  1  0.59  0.57  0.28  1.0
  Se  Se5  1  0.68  0.52  0.34  1.0
  Se  Se6  1  0.68  0.75  0.19  1.0
  Se  Se7  1  0.68  0.64  0.27  1.0
  C  C8  1  0.71  0.26  0.32  1.0
  C  C9  1  0.71  0.38  0.68  1.0

C C C C Se Se Se Se Se Se
C C C C Se Se Se Se Se Se 0 4 o o o 1 3 o o o 1 8 + o o 2 9 o o o 2 4 o o o 2 6 o o o 3 6 o + o 5 9 o o o 7 8 o o o 