data_[Th12C8S4]
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 [Cmcm]
_cell_length_a [3.9508]
_cell_length_b [12.8923]
_cell_length_c [10.1727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Th3C2S]
_chemical_formula_sum '[Th12 C8 S4]'
_cell_volume [518.1514]
_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  0.0000  0.3735  0.5654  1
  Th  Th1  4  0.0000  0.0741  0.7500  1
  C  C2  4  0.0000  0.0000  0.0000  1
  C  C3  4  0.0000  0.4735  0.7500  1
  S  S4  4  0.0000  0.2488  0.2500  1
]