data_[Nd12Cu8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8241]
_cell_length_b [4.2105]
_cell_length_c [11.7132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3Cu2Ru]
_chemical_formula_sum '[Nd12 Cu8 Ru4]'
_cell_volume [583.1467]
_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  4  0.0514  0.2500  0.3763  1
  Nd  Nd1  4  0.1193  0.7500  0.9457  1
  Nd  Nd2  4  0.2254  0.2500  0.7076  1
  Cu  Cu3  4  0.0156  0.7500  0.1900  1
  Cu  Cu4  4  0.1943  0.7500  0.5028  1
  Ru  Ru5  4  0.1272  0.2500  0.1340  1
]