data_[Tl21C18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8928]
_cell_length_b [6.8928]
_cell_length_c [22.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl7C6]
_chemical_formula_sum '[Tl21 C18]'
_cell_volume [944.7693]
_cell_formula_units_Z [3]
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
[
  Tl  Tl0  18  0.0187  0.5093  0.9279  1
  Tl  Tl1  3  -0.0000  -0.0000  0.5000  1
  C  C2  6  0.0000  0.0000  0.1177  1
  C  C3  6  0.0000  0.0000  0.1733  1
  C  C4  6  0.0000  0.0000  0.3304  1
]