data_[Tb3Tl3Ga6Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5577]
_cell_length_b [7.5577]
_cell_length_c [20.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbTl(GaCl3)2]
_chemical_formula_sum '[Tb3 Tl3 Ga6 Cl18]'
_cell_volume [990.3774]
_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  0.3230  1.0
  Tl  Tl1  3  0.0000  0.0000  0.8114  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0114  1.0
  Ga  Ga3  3  0.0000  0.0000  0.5188  1.0
  Cl  Cl4  9  0.0463  0.3543  0.9217  1.0
  Cl  Cl5  9  0.0689  0.6845  0.0771  1.0
]