data_[Nd2Tm6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1353]
_cell_length_b [5.1588]
_cell_length_c [11.1465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd(TmHg2)3]
_chemical_formula_sum '[Nd2 Tm6 Hg12]'
_cell_volume [502.3407]
_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
[
  Nd  Nd0  2  0.0666  0.2500  0.3850  1
  Tm  Tm1  2  0.2323  0.2500  0.0029  1
  Tm  Tm2  2  0.3525  0.7500  0.8074  1
  Tm  Tm3  2  0.4859  0.2500  0.6116  1
  Hg  Hg4  2  0.0633  0.7500  0.9108  1
  Hg  Hg5  2  0.1421  0.7500  0.2087  1
  Hg  Hg6  2  0.1765  0.2500  0.6934  1
  Hg  Hg7  2  0.2581  0.7500  0.5235  1
  Hg  Hg8  2  0.3612  0.2500  0.2900  1
  Hg  Hg9  2  0.4631  0.7500  0.0947  1
]