data_[Nd4Tm2Hg16]
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 [C2/m]
_cell_length_a [15.9832]
_cell_length_b [5.0974]
_cell_length_c [7.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2TmHg8]
_chemical_formula_sum '[Nd4 Tm2 Hg16]'
_cell_volume [559.9154]
_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  4  0.2112  0.0000  0.6598  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0183  0.0000  0.7296  1.0
  Hg  Hg3  4  0.0941  0.5000  0.4439  1.0
  Hg  Hg4  4  0.1518  0.0000  0.1618  1.0
  Hg  Hg5  4  0.1643  0.5000  0.8902  1.0
]