data_[Tm6Si8Au8]
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 [Immm]
_cell_length_a [4.0351]
_cell_length_b [4.2317]
_cell_length_c [25.1482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3(SiAu)4]
_chemical_formula_sum '[Tm6 Si8 Au8]'
_cell_volume [429.4159]
_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  4  0.0000  0.0000  0.3519  1.0
  Tm  Tm1  2  0.0000  0.5000  0.5000  1.0
  Si  Si2  4  0.0000  0.0000  0.1904  1.0
  Si  Si3  4  0.0000  0.5000  0.0476  1.0
  Au  Au4  4  0.0000  0.0000  0.0916  1.0
  Au  Au5  4  0.0000  0.5000  0.2469  1.0
]