data_[La4Nd4Ru4]
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 [12.5804]
_cell_length_b [5.4089]
_cell_length_c [5.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNdRu]
_chemical_formula_sum '[La4 Nd4 Ru4]'
_cell_volume [362.9682]
_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
[
  La  La0  4  0.1314  0.5000  0.3968  1.0
  Nd  Nd1  4  0.1260  0.0000  0.9115  1.0
  Ru  Ru2  4  0.1091  0.0000  0.4084  1.0
]