data_[Tm8Al20Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3302]
_cell_length_b [25.0654]
_cell_length_c [6.9709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm2Al5Au3]
_chemical_formula_sum '[Tm8 Al20 Au12]'
_cell_volume [756.6134]
_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  0.1739  0.2328  1
  Tm  Tm1  4  0.0000  0.4812  0.2532  1
  Al  Al2  4  0.0000  0.0528  0.0838  1
  Al  Al3  4  0.0000  0.1210  0.7578  1
  Al  Al4  4  0.0000  0.2919  0.0170  1
  Al  Al5  4  0.0000  0.2925  0.4204  1
  Al  Al6  4  0.0000  0.3979  0.9004  1
  Au  Au7  4  0.0000  0.0497  0.4711  1
  Au  Au8  4  0.0000  0.2260  0.7163  1
  Au  Au9  4  0.0000  0.3912  0.5118  1
]