data_[Tm4Ag12Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6425]
_cell_length_b [8.2378]
_cell_length_c [9.7046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmAg3Hg2]
_chemical_formula_sum '[Tm4 Ag12 Hg8]'
_cell_volume [501.2261]
_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  4  0.0000  0.1279  0.2500  1.0
  Ag  Ag1  8  0.1682  0.3769  0.0774  1.0
  Ag  Ag2  4  0.0000  0.3841  0.7500  1.0
  Hg  Hg3  8  0.1629  0.1287  0.5893  1.0
]