data_CSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   7.12
_cell_angle_alpha   100.23
_cell_angle_beta   100.23
_cell_angle_gamma   35.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CSe3
_chemical_formula_sum   'C1 Se3'
_cell_volume   89.24
_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
  C  C0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.83  0.0  0.5  1.0
  Se  Se2  1  0.28  0.0  0.29  1.0
  Se  Se3  1  0.39  0.0  0.7  1.0

data_CSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.71
_cell_length_c   7.12
_cell_angle_alpha   100.23
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CSe3
_chemical_formula_sum   'C1 Se3'
_cell_volume   89.24
_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
  C  C0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.17  0.5  1.0
  Se  Se2  1  0.0  0.61  0.3  1.0
  Se  Se3  1  0.0  0.72  0.71  1.0

C Se Se Se
C Se Se Se 0 2 o o o 0 3 o o - 0 3 - o - 1 2 o o o 1 2 + o o 1 3 o o o 1 3 + o o 1 3 o + o 1 1 + - o 2 2 + - o 2 3 o o o 3 3 + - o 