data_[Th12Ru2C4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6198]
_cell_length_b [3.9012]
_cell_length_c [8.1993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6RuC2S3]
_chemical_formula_sum '[Th12 Ru2 C4 S6]'
_cell_volume [542.8792]
_cell_formula_units_Z [2]
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  4  0.0128  0.0000  0.2492  1
  Th  Th1  4  0.1674  0.5000  0.1141  1
  Th  Th2  4  0.1755  0.5000  0.5645  1
  Ru  Ru3  2  0.0000  0.5000  0.0000  1
  C  C4  4  0.1694  0.0000  0.3360  1
  S  S5  4  0.1645  0.0000  0.8322  1
  S  S6  2  0.0000  0.5000  0.5000  1
]