data_[Th10Tl4C4]
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 [C2/m]
_cell_length_a [13.0516]
_cell_length_b [5.3437]
_cell_length_c [7.1466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th5(TlC)2]
_chemical_formula_sum '[Th10 Tl4 C4]'
_cell_volume [495.0614]
_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  0.1560  0.0000  0.5661  1
  Th  Th1  4  0.1720  0.5000  0.9003  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0713  0.5000  0.3213  1
  C  C4  4  0.1708  0.0000  0.8951  1
]