data_[Tm6Tl2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9754]
_cell_length_b [4.8785]
_cell_length_c [10.9687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3TlHg6]
_chemical_formula_sum '[Tm6 Tl2 Hg12]'
_cell_volume [498.0825]
_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  0.1606  0.7500  0.6580  1
  Tm  Tm1  2  0.2161  0.2500  0.9442  1
  Tm  Tm2  2  0.4676  0.2500  0.7643  1
  Tl  Tl3  2  0.3787  0.7500  0.4655  1
  Hg  Hg4  2  0.0179  0.2500  0.1605  1
  Hg  Hg5  2  0.0238  0.7500  0.3379  1
  Hg  Hg6  2  0.1890  0.7500  0.1151  1
  Hg  Hg7  2  0.1992  0.2500  0.5056  1
  Hg  Hg8  2  0.3618  0.2500  0.2571  1
  Hg  Hg9  2  0.4132  0.7500  0.9200  1
]