data_[Tm6Ag4Hg8]
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/m]
_cell_length_a [9.0744]
_cell_length_b [5.1152]
_cell_length_c [8.9658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(AgHg2)2]
_chemical_formula_sum '[Tm6 Ag4 Hg8]'
_cell_volume [412.4994]
_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  0.1308  0.5000  0.7258  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.2168  0.5000  0.4040  1
  Hg  Hg3  4  0.0446  0.0000  0.3420  1
  Hg  Hg4  4  0.1785  0.5000  0.0780  1
]