data_CSO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   3.77
_cell_angle_alpha   97.07
_cell_angle_beta   97.07
_cell_angle_gamma   97.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CSO
_chemical_formula_sum   'C1 S1 O1'
_cell_volume   52.22
_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  0.14  1.0
  S  S2  1  0.0  0.0  0.69  1.0
  O  O1  1  0.0  0.0  0.63  1.0

data_CSO
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   5.65
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CSO
_chemical_formula_sum   'C2 S2 O2'
_cell_volume   104.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.14  1.0
  S  S1  2  0.0  0.0  0.69  1.0
  O  O2  2  0.0  0.0  0.63  1.0

C S O
C S O 0 2 o o - 0 2 o o o 0 1 o o - 0 1 o o o 1 2 o o o 