data_[Tb1Cl5]
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 [Pm]
_cell_length_a [4.0029]
_cell_length_b [5.3218]
_cell_length_c [11.5085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TbCl5]
_chemical_formula_sum '[Tb1 Cl5]'
_cell_volume [244.9867]
_cell_formula_units_Z [1]
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  0.0427  0.5000  0.6111  1
  Cl  Cl1  1  0.0439  0.0000  0.6108  1
  Cl  Cl2  1  0.5262  0.5000  0.4568  1
  Cl  Cl3  1  0.5594  0.5000  0.7655  1
  Cl  Cl4  1  0.5652  0.0000  0.1974  1
  Cl  Cl5  1  0.5960  0.0000  0.0250  1
]