data_[Th12Tl6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5248]
_cell_length_b [8.6175]
_cell_length_c [12.1086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Th6Tl3C]
_chemical_formula_sum '[Th12 Tl6 C2]'
_cell_volume [596.9084]
_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  0.0762  0.0578  0.2239  1
  Th  Th1  4  0.1678  0.7308  0.0589  1
  Th  Th2  4  0.3870  0.1441  0.0459  1
  Tl  Tl3  4  0.3319  0.1035  0.7306  1
  Tl  Tl4  2  0.5000  0.0000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]