data_[Tm4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6479]
_cell_length_b [11.5958]
_cell_length_c [6.5562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm(CuCl3)2]
_chemical_formula_sum '[Tm4 Cu8 Cl24]'
_cell_volume [1028.7497]
_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  0.0000  0.0951  0.7500  1.0
  Cu  Cu1  8  0.1210  0.4239  0.7740  1.0
  Cl  Cl2  8  0.1079  0.0680  0.1047  1.0
  Cl  Cl3  8  0.1209  0.2487  0.6348  1.0
  Cl  Cl4  8  0.1255  0.4106  0.1145  1.0
]