data_[Tm4Au8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8040]
_cell_length_b [13.6458]
_cell_length_c [7.7043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm(AuBr3)2]
_chemical_formula_sum '[Tm4 Au8 Br24]'
_cell_volume [1366.2031]
_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  0.0648  0.7500  1.0
  Au  Au1  8  0.2158  0.4262  0.2912  1.0
  Br  Br2  8  0.0949  0.0905  0.1317  1.0
  Br  Br3  8  0.1100  0.4782  0.9268  1.0
  Br  Br4  8  0.1544  0.1946  0.7395  1.0
]