data_[Th8H2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.5827]
_cell_length_b [10.5315]
_cell_length_c [3.7514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th4HC3]
_chemical_formula_sum '[Th8 H2 C6]'
_cell_volume [299.5802]
_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  0.0000  0.2481  0.0000  1
  Th  Th1  4  0.2361  0.0000  0.5000  1
  H  H2  2  0.0000  0.5000  0.0000  1
  C  C3  4  0.2500  0.2500  0.5000  1
  C  C4  2  0.0000  0.0000  0.0000  1
]