data_[Nd4Al2Cu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2752]
_cell_length_b [5.2828]
_cell_length_c [9.8429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2AlCuO6]
_chemical_formula_sum '[Nd4 Al2 Cu2 O12]'
_cell_volume [236.1947]
_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
[
  Nd  Nd0  4  0.2719  0.5335  0.7549  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1310  0.5132  0.2134  1.0
  O  O4  4  0.2861  0.2202  0.0568  1.0
  O  O5  4  0.3315  0.7268  0.0492  1.0
]