data_[Th12Hg8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5504]
_cell_length_b [11.6754]
_cell_length_c [6.5469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th3Hg2C]
_chemical_formula_sum '[Th12 Hg8 C4]'
_cell_volume [630.6039]
_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  0.1688  0.4268  0.9809  1
  Th  Th1  4  0.2500  0.2500  0.5000  1
  Hg  Hg2  4  0.0000  0.0648  0.2500  1
  Hg  Hg3  4  0.0000  0.1904  0.7500  1
  C  C4  4  0.0000  0.4176  0.2500  1
]