data_[Tm2Ag2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4389]
_cell_length_b [4.1977]
_cell_length_c [8.5374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAgAu6]
_chemical_formula_sum '[Tm2 Ag2 Au12]'
_cell_volume [301.3363]
_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  0.0000  1
  Ag  Ag1  2  0.0000  0.0000  0.5000  1
  Au  Au2  4  0.0016  0.5000  0.7471  1
  Au  Au3  4  0.2466  0.0000  0.3765  1
  Au  Au4  4  0.2491  0.0000  0.8710  1
]