data_[C8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.6899]
_cell_length_b [2.7252]
_cell_length_c [10.4490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [C2S3]
_chemical_formula_sum '[C8 S12]'
_cell_volume [418.3048]
_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  4  0.1081  0.2500  0.2757  1
  C  C1  4  0.1562  0.2500  0.7201  1
  S  S2  4  0.0800  0.7500  0.1860  1
  S  S3  4  0.1330  0.2500  0.5628  1
  S  S4  4  0.1740  0.7500  0.8176  1
]