data_[Sr2Nd4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [I4/mmm]
_cell_length_a [3.8606]
_cell_length_b [3.8606]
_cell_length_c [19.7512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [SrNd2(CuO3)2]
_chemical_formula_sum '[Sr2 Nd4 Cu4 O12]'
_cell_volume [294.3804]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.0000  0.0000  0.1773  1.0
  Cu  Cu2  4  0.0000  0.0000  0.4100  1.0
  O  O3  8  0.0000  0.5000  0.0910  1.0
  O  O4  4  0.0000  0.0000  0.2934  1.0
]