data_[Th12Tc2Hg6C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4258]
_cell_length_b [3.8308]
_cell_length_c [9.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6TcHg3C2]
_chemical_formula_sum '[Th12 Tc2 Hg6 C4]'
_cell_volume [624.5202]
_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  0.0195  0.0000  0.2342  1
  Th  Th1  4  0.1580  0.5000  0.1484  1
  Th  Th2  4  0.1859  0.5000  0.5551  1
  Tc  Tc3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  4  0.1695  0.0000  0.8550  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
  C  C6  4  0.1689  0.0000  0.3477  1
]