data_[Nd12Hg4Rh2]
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 [P2_1/c]
_cell_length_a [7.1713]
_cell_length_b [7.5048]
_cell_length_c [12.6441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Hg2Rh]
_chemical_formula_sum '[Nd12 Hg4 Rh2]'
_cell_volume [576.1950]
_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  0.1358  0.2003  0.4491  1.0
  Nd  Nd1  4  0.2555  0.6857  0.4469  1.0
  Nd  Nd2  4  0.3658  0.0084  0.2462  1.0
  Hg  Hg3  4  0.1958  0.0911  0.7397  1.0
  Rh  Rh4  2  0.5000  0.0000  0.5000  1.0
]