data_[Tm4Cu8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7562]
_cell_length_b [12.0766]
_cell_length_c [6.8676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm(CuBr3)2]
_chemical_formula_sum '[Tm4 Cu8 Br24]'
_cell_volume [1213.9690]
_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  0.0937  0.2500  1
  Cu  Cu1  8  0.1177  0.4251  0.2747  1
  Br  Br2  8  0.1078  0.0710  0.6073  1
  Br  Br3  8  0.1201  0.2487  0.1289  1
  Br  Br4  8  0.1244  0.4064  0.6183  1
]