data_[Th14C10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3055]
_cell_length_b [3.6597]
_cell_length_c [11.5476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th7C5]
_chemical_formula_sum '[Th14 C10]'
_cell_volume [503.6251]
_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  0.0307  0.0000  0.7851  1
  Th  Th1  4  0.1561  0.5000  0.0630  1
  Th  Th2  4  0.2404  0.5000  0.3616  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  C  C4  4  0.1325  0.0000  0.4332  1
  C  C5  4  0.1789  0.5000  0.8546  1
  C  C6  2  0.0000  0.0000  0.0000  1
]