data_[Nd16Ni2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9585]
_cell_length_b [5.0362]
_cell_length_c [6.9582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8NiRu2]
_chemical_formula_sum '[Nd16 Ni2 Ru4]'
_cell_volume [606.4704]
_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  0.0331  0.0000  0.7900  1.0
  Nd  Nd1  4  0.0938  0.5000  0.4536  1.0
  Nd  Nd2  4  0.1687  0.5000  0.9699  1.0
  Nd  Nd3  4  0.2039  0.0000  0.3188  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru5  4  0.1875  0.0000  0.7105  1.0
]