data_[Nd6Hg3Rh3]
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 [R3m]
_cell_length_a [4.1628]
_cell_length_b [4.1628]
_cell_length_c [23.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd2HgRh]
_chemical_formula_sum '[Nd6 Hg3 Rh3]'
_cell_volume [346.9848]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0673  1.0
  Nd  Nd1  3  0.0000  0.0000  0.2665  1.0
  Hg  Hg2  3  0.0000  0.0000  0.5006  1.0
  Rh  Rh3  3  0.0000  0.0000  0.6657  1.0
]