data_[Nd32Hg8Rh16]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.2747]
_cell_length_b [15.2346]
_cell_length_c [8.7464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Nd4HgRh2]
_chemical_formula_sum '[Nd32 Hg8 Rh16]'
_cell_volume [1502.3322]
_cell_formula_units_Z [8]
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  16  0.0390  0.1154  0.3310  1.0
  Nd  Nd1  16  0.1129  0.1821  0.9246  1.0
  Hg  Hg2  8  0.0000  0.0000  0.9961  1.0
  Rh  Rh3  16  0.0480  0.2137  0.6187  1.0
]