data_[Nd6Hg6Rh4]
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 [17.5538]
_cell_length_b [4.3928]
_cell_length_c [5.2500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Hg3Rh2]
_chemical_formula_sum '[Nd6 Hg6 Rh4]'
_cell_volume [398.1887]
_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  0.1666  0.0000  0.5967  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.1313  0.5000  0.0911  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
  Rh  Rh4  4  0.2310  0.0000  0.1405  1
]