data_[Th12Te6Ru4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3154]
_cell_length_b [12.6352]
_cell_length_c [7.9106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Te3Ru2S]
_chemical_formula_sum '[Th12 Te6 Ru4 S2]'
_cell_volume [696.0900]
_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  8  0.2439  0.1746  0.2052  1
  Th  Th1  4  0.2185  0.5000  0.2046  1
  Te  Te2  4  0.0000  0.1612  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Ru  Ru4  4  0.0000  0.3328  0.0000  1
  S  S5  2  0.0000  0.0000  0.0000  1
]