data_[Tm2Ag4Au16]
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 [15.4141]
_cell_length_b [4.2000]
_cell_length_c [6.6180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(AgAu4)2]
_chemical_formula_sum '[Tm2 Ag4 Au16]'
_cell_volume [413.0238]
_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  0.5000  0.0000  1.0
  Ag  Ag1  4  0.2248  0.0000  0.6327  1.0
  Au  Au2  4  0.0455  0.0000  0.7243  1.0
  Au  Au3  4  0.0932  0.5000  0.4529  1.0
  Au  Au4  4  0.1383  0.0000  0.1850  1.0
  Au  Au5  4  0.1829  0.5000  0.9152  1.0
]