data_[Th8C8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8254]
_cell_length_b [4.1918]
_cell_length_c [6.7138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th2C2S]
_chemical_formula_sum '[Th8 C8 S4]'
_cell_volume [380.8439]
_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
[
  Th  Th0  8  0.1409  0.2955  0.6456  1
  C  C1  8  0.2199  0.1331  0.0289  1
  S  S2  4  0.0000  0.2071  0.2500  1
]