data_[Tm2Al2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.3955]
_cell_length_b [11.1015]
_cell_length_c [6.3933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TmAlCl6]
_chemical_formula_sum '[Tm2 Al2 Cl12]'
_cell_volume [427.6366]
_cell_formula_units_Z [2]
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  2  0.0000  0.1657  0.0000  1
  Al  Al1  2  0.0000  0.8339  0.0000  1
  Cl  Cl2  4  0.2181  0.9842  0.2303  1
  Cl  Cl3  4  0.2220  0.8290  0.7740  1
  Cl  Cl4  4  0.2320  0.6870  0.2293  1
]