data_[Tm4Ag2Hg12]
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 [8.3314]
_cell_length_b [8.6562]
_cell_length_c [5.8347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2AgHg6]
_chemical_formula_sum '[Tm4 Ag2 Hg12]'
_cell_volume [420.2515]
_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  0.1756  0.5000  0.6787  1
  Ag  Ag1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.1675  0.3340  0.1688  1
  Hg  Hg3  4  0.0000  0.1641  0.5000  1
]