data_[Nd3Ti9Fe3Cu9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6010]
_cell_length_b [10.6010]
_cell_length_c [6.4824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NdTi3Fe(CuO4)3]
_chemical_formula_sum '[Nd3 Ti9 Fe3 Cu9 O36]'
_cell_volume [630.8923]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  9  0.0000  0.5000  0.5000  1.0
  Fe  Fe2  3  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  9  0.0000  0.5000  0.0000  1.0
  O  O4  18  0.0177  0.8552  0.6866  1.0
  O  O5  18  0.0412  0.7828  0.0836  1.0
]