data_[Tm13Hg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5493]
_cell_length_b [8.4423]
_cell_length_c [8.6858]
_cell_angle_alpha [66.8821]
_cell_angle_beta [79.0459]
_cell_angle_gamma [81.9074]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm13Hg2]
_chemical_formula_sum '[Tm13 Hg2]'
_cell_volume [432.4700]
_cell_formula_units_Z [1]
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  0.1198  0.4791  0.7342  1.0
  Tm  Tm1  2  0.2049  0.2314  0.1476  1.0
  Tm  Tm2  2  0.2489  0.9409  0.5791  1.0
  Tm  Tm3  2  0.3012  0.6522  0.9722  1.0
  Tm  Tm4  2  0.3704  0.4099  0.3874  1.0
  Tm  Tm5  2  0.4982  0.1464  0.7952  1.0
  Tm  Tm6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.0583  0.7723  0.3783  1.0
]