data_[Tb3Tl3Ga6I18]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2516]
_cell_length_b [8.2516]
_cell_length_c [22.5316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbTl(GaI3)2]
_chemical_formula_sum '[Tb3 Tl3 Ga6 I18]'
_cell_volume [1328.6201]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.6735  1.0
  Tl  Tl1  3  0.0000  0.0000  0.1822  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4883  1.0
  Ga  Ga3  3  0.0000  0.0000  0.9957  1.0
  I  I4  9  0.0138  0.3184  0.7454  1.0
  I  I5  9  0.0242  0.7211  0.5875  1.0
]