data_[Tb3Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.6799]
_cell_length_b [18.5126]
_cell_length_c [18.5126]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TbCl3]
_chemical_formula_sum '[Tb3 Cl9]'
_cell_volume [3169.7984]
_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  1  0.2908  0.0193  0.5668  1
  Tb  Tb1  1  0.6039  0.9808  0.4334  1
  Tb  Tb2  1  0.9712  0.9992  0.4981  1
  Cl  Cl3  1  0.0953  0.1283  0.6127  1
  Cl  Cl4  1  0.0954  0.9222  0.5622  1
  Cl  Cl5  1  0.1564  0.9722  0.4044  1
  Cl  Cl6  1  0.3851  0.0591  0.7031  1
  Cl  Cl7  1  0.4431  0.1037  0.5207  1
  Cl  Cl8  1  0.4434  0.8934  0.4691  1
  Cl  Cl9  1  0.5863  0.9389  0.2872  1
  Cl  Cl10  1  0.7876  0.0955  0.4974  1
  Cl  Cl11  1  0.7880  0.8875  0.4448  1
]