data_[Tm4Al4Au12]
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 [Pnma]
_cell_length_a [8.9207]
_cell_length_b [4.6839]
_cell_length_c [9.3541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmAlAu3]
_chemical_formula_sum '[Tm4 Al4 Au12]'
_cell_volume [390.8533]
_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  0.2336  0.2500  0.9983  1
  Al  Al1  4  0.1014  0.2500  0.3244  1
  Au  Au2  4  0.0665  0.2500  0.5950  1
  Au  Au3  4  0.1104  0.7500  0.1596  1
  Au  Au4  4  0.1122  0.7500  0.8481  1
]