data_[Nd16Hg2Rh4]
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 [C2/m]
_cell_length_a [8.6814]
_cell_length_b [13.9127]
_cell_length_c [5.7619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8HgRh2]
_chemical_formula_sum '[Nd16 Hg2 Rh4]'
_cell_volume [666.9368]
_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  8  0.2111  0.1246  0.0658  1
  Nd  Nd1  4  0.0000  0.2393  0.5000  1
  Nd  Nd2  4  0.1092  0.5000  0.3121  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
  Rh  Rh4  4  0.0000  0.2889  0.0000  1
]