data_[Tm12Cd6Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1824]
_cell_length_b [5.2365]
_cell_length_c [11.4868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6Cd3Hg]
_chemical_formula_sum '[Tm12 Cd6 Hg2]'
_cell_volume [524.1930]
_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  0.1080  0.7500  0.8759  1
  Tm  Tm1  2  0.1304  0.7500  0.1637  1
  Tm  Tm2  2  0.1540  0.2500  0.6850  1
  Tm  Tm3  2  0.2475  0.7500  0.4954  1
  Tm  Tm4  2  0.3415  0.2500  0.3223  1
  Tm  Tm5  2  0.4651  0.7500  0.0900  1
  Cd  Cd6  2  0.2258  0.2500  0.0257  1
  Cd  Cd7  2  0.3854  0.7500  0.7821  1
  Cd  Cd8  2  0.4728  0.2500  0.6218  1
  Hg  Hg9  2  0.0523  0.2500  0.3932  1
]