data_[La2Nd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6123]
_cell_length_b [4.3656]
_cell_length_c [11.1072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(NdRu)2]
_chemical_formula_sum '[La2 Nd4 Ru4]'
_cell_volume [269.3960]
_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
[
  La  La0  2  0.4695  0.2500  0.2190  1.0
  Nd  Nd1  2  0.0748  0.2500  0.8768  1.0
  Nd  Nd2  2  0.2352  0.7500  0.4678  1.0
  Ru  Ru3  2  0.3038  0.2500  0.6426  1.0
  Ru  Ru4  2  0.3731  0.7500  0.0056  1.0
]