data_[Tm2Al4Au16]
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 [C2/m]
_cell_length_a [8.6175]
_cell_length_b [11.3212]
_cell_length_c [4.4748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(AlAu4)2]
_chemical_formula_sum '[Tm2 Al4 Au16]'
_cell_volume [424.9272]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Al  Al1  4  0.0000  0.3655  0.0000  1.0
  Au  Au2  8  0.1780  0.1365  0.0580  1.0
  Au  Au3  4  0.0000  0.2576  0.5000  1.0
  Au  Au4  4  0.1575  0.5000  0.4300  1.0
]