data_[Nd16Ru4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [8.8303]
_cell_length_b [8.8316]
_cell_length_c [8.8798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [Nd4RuRh2]
_chemical_formula_sum '[Nd16 Ru4 Rh8]'
_cell_volume [692.4910]
_cell_formula_units_Z [4]
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  0.0607  0.4392  0.9367  1
  Nd  Nd1  8  0.1925  0.1919  0.3119  1
  Ru  Ru2  4  0.0000  0.2500  0.6133  1
  Rh  Rh3  4  0.1118  0.5000  0.2500  1
  Rh  Rh4  4  0.2500  0.1233  0.0000  1
]