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 [8.8735]
_cell_length_b [4.6963]
_cell_length_c [9.3638]
_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 [390.2158]
_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  0.2334  0.2500  0.0022  1.0
  Al  Al1  4  0.1009  0.2500  0.6748  1.0
  Au  Au2  4  0.0662  0.2500  0.4044  1.0
  Au  Au3  4  0.1111  0.7500  0.8404  1.0
  Au  Au4  4  0.1124  0.7500  0.1515  1.0
]