data_[La4Nd2Ru4C4N6]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7593]
_cell_length_b [3.7593]
_cell_length_c [20.1706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La2NdRu2C2N3]
_chemical_formula_sum '[La4 Nd2 Ru4 C4 N6]'
_cell_volume [285.0538]
_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  4  0.0000  0.0000  0.3748  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.0000  0.5000  0.2500  1
  C  C3  4  0.0000  0.0000  0.1942  1
  N  N4  4  0.0000  0.0000  0.1235  1
  N  N5  2  0.0000  0.0000  0.5000  1
]