data_[Tm12Hg8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9590]
_cell_length_b [11.0931]
_cell_length_c [5.2239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm3(HgAu2)2]
_chemical_formula_sum '[Tm12 Hg8 Au16]'
_cell_volume [794.0294]
_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  0.1631  0.1199  0.5846  1
  Tm  Tm1  4  0.0000  0.3604  0.7500  1
  Hg  Hg2  8  0.1136  0.3821  0.3055  1
  Au  Au3  8  0.0553  0.1238  0.0281  1
  Au  Au4  8  0.2259  0.3689  0.8546  1
]