data_[Th4U4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2519]
_cell_length_b [3.7307]
_cell_length_c [6.5070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2U2C3]
_chemical_formula_sum '[Th4 U4 C6]'
_cell_volume [263.6498]
_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  0.0977  0.5000  0.8336  1
  U  U1  4  0.1849  0.0000  0.3581  1
  C  C2  4  0.2370  0.0000  0.7676  1
  C  C3  2  0.0000  0.0000  0.0000  1
]