data_[Tm12Si12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2517]
_cell_length_b [10.5282]
_cell_length_c [14.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Si3Au2]
_chemical_formula_sum '[Tm12 Si12 Au8]'
_cell_volume [629.1110]
_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  0.0000  0.0812  0.6143  1.0
  Tm  Tm1  4  0.0000  0.3608  0.7500  1.0
  Si  Si2  8  0.0000  0.3995  0.5414  1.0
  Si  Si3  4  0.0000  0.3559  0.2500  1.0
  Au  Au4  8  0.0000  0.2102  0.0977  1.0
]