data_[La16Nd2Ru4]
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 [C2/m]
_cell_length_a [12.9066]
_cell_length_b [8.6591]
_cell_length_c [7.4733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8NdRu2]
_chemical_formula_sum '[La16 Nd2 Ru4]'
_cell_volume [780.6154]
_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  8  0.1170  0.3020  0.3021  1
  La  La1  4  0.1229  0.0000  0.6938  1
  La  La2  4  0.1711  0.5000  0.8098  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  4  0.1968  0.0000  0.3997  1
]