data_[Tb9Cl5]
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 [P31m]
_cell_length_a [8.3955]
_cell_length_b [8.3955]
_cell_length_c [19.3845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tb9Cl5]
_chemical_formula_sum '[Tb9 Cl5]'
_cell_volume [1183.2699]
_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  6  0.2082  0.4165  0.4086  1
  Tb  Tb1  3  0.0000  0.4371  0.5553  1
  Cl  Cl2  3  0.0000  0.7531  0.5375  1
  Cl  Cl3  2  0.3333  0.6667  0.6348  1
]