data_[Nd2Dy4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0208]
_cell_length_b [4.9853]
_cell_length_c [7.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(DyHg4)2]
_chemical_formula_sum '[Nd2 Dy4 Hg16]'
_cell_volume [551.7630]
_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  0.0000  0.5000  0.0000  1.0
  Dy  Dy1  4  0.2146  0.0000  0.6543  1.0
  Hg  Hg2  4  0.0307  0.0000  0.7279  1.0
  Hg  Hg3  4  0.0978  0.5000  0.4634  1.0
  Hg  Hg4  4  0.1501  0.0000  0.1904  1.0
  Hg  Hg5  4  0.1770  0.5000  0.9058  1.0
]