data_[Tb16Tl4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [15.2163]
_cell_length_b [7.2603]
_cell_length_c [6.3977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2C3]
_chemical_formula_sum '[Tb16 Tl4 C6]'
_cell_volume [680.3622]
_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
[
  Tb  Tb0  8  0.0879  0.2418  0.3850  1
  Tb  Tb1  4  0.0974  0.0000  0.8940  1
  Tb  Tb2  4  0.1057  0.5000  0.9525  1
  Tl  Tl3  4  0.2440  0.5000  0.6539  1
  C  C4  4  0.0000  0.2548  0.0000  1
  C  C5  2  0.0000  0.0000  0.5000  1
]