data_[Th12Ru4Au2C6]
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
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6004]
_cell_length_b [3.7158]
_cell_length_c [8.4652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Ru2AuC3]
_chemical_formula_sum '[Th12 Ru4 Au2 C6]'
_cell_volume [529.1822]
_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  0.0188  0.0000  0.2982  1
  Th  Th1  4  0.1559  0.5000  0.6339  1
  Th  Th2  4  0.1772  0.5000  0.0806  1
  Ru  Ru3  4  0.1831  0.0000  0.3777  1
  Au  Au4  2  0.0000  0.5000  0.0000  1
  C  C5  4  0.1759  0.0000  0.8578  1
  C  C6  2  0.0000  0.5000  0.5000  1
]