data_[Nd16Hg4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9911]
_cell_length_b [13.7736]
_cell_length_c [6.3289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4HgRu]
_chemical_formula_sum '[Nd16 Hg4 Ru4]'
_cell_volume [714.8685]
_cell_formula_units_Z [4]
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  8  0.1114  0.1771  0.0678  1.0
  Nd  Nd1  8  0.2208  0.4290  0.3485  1.0
  Hg  Hg2  4  0.0000  0.3767  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0003  0.2500  1.0
]