data_[La4Nd4Cu4O16]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9439]
_cell_length_b [5.2914]
_cell_length_c [5.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNdCuO4]
_chemical_formula_sum '[La4 Nd4 Cu4 O16]'
_cell_volume [383.5098]
_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  0.1401  0.0000  0.4835  1.0
  Nd  Nd1  4  0.1378  0.5000  0.0185  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.5000  0.5000  1.0
  O  O4  8  0.0152  0.2533  0.7554  1.0
  O  O5  4  0.1859  0.5000  0.4275  1.0
  O  O6  4  0.1886  0.0000  0.0714  1.0
]