data_[Tm2Cd6Hg12]
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 [10.9339]
_cell_length_b [4.3977]
_cell_length_c [11.8830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(CdHg2)3]
_chemical_formula_sum '[Tm2 Cd6 Hg12]'
_cell_volume [520.4275]
_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  0.0016  0.7500  0.6349  1.0
  Cd  Cd1  2  0.1631  0.7500  0.0362  1.0
  Cd  Cd2  2  0.3026  0.7500  0.8476  1.0
  Cd  Cd3  2  0.4112  0.2500  0.5109  1.0
  Hg  Hg4  2  0.0654  0.2500  0.8458  1.0
  Hg  Hg5  2  0.1822  0.2500  0.2167  1.0
  Hg  Hg6  2  0.2095  0.7500  0.4482  1.0
  Hg  Hg7  2  0.2105  0.2500  0.6477  1.0
  Hg  Hg8  2  0.4771  0.7500  0.1084  1.0
  Hg  Hg9  2  0.4922  0.2500  0.2890  1.0
]