data_[Tm8Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6274]
_cell_length_b [3.7426]
_cell_length_c [10.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Cl3]
_chemical_formula_sum '[Tm8 Cl12]'
_cell_volume [550.3931]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  4  0.0771  0.5000  0.9556  1.0
  Tm  Tm1  4  0.1373  0.0000  0.2877  1.0
  Cl  Cl2  4  0.0346  0.0000  0.7412  1.0
  Cl  Cl3  4  0.1672  0.5000  0.5070  1.0
  Cl  Cl4  4  0.2152  0.0000  0.1183  1.0
]