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 [Ibam]
_cell_length_a [11.0392]
_cell_length_b [11.7650]
_cell_length_c [5.9800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tm2Al5Au3]
_chemical_formula_sum '[Tm8 Al20 Au12]'
_cell_volume [776.6590]
_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  8  0.2409  0.3704  0.5000  1.0
  Al  Al1  8  0.0000  0.2445  0.2500  1.0
  Al  Al2  8  0.1442  0.1154  0.5000  1.0
  Al  Al3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.1340  0.3717  0.0000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]