data_[Ba4Ca2Nd4Cu4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  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 [3.7420]
_cell_length_b [3.7420]
_cell_length_c [32.3307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2CaNd2(CuO4)2]
_chemical_formula_sum '[Ba4 Ca2 Nd4 Cu4 O16]'
_cell_volume [452.7139]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.1108  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Nd  Nd2  4  0.0000  0.0000  0.2931  1
  Cu  Cu3  4  0.0000  0.0000  0.4524  1
  O  O4  8  0.0000  0.5000  0.0486  1
  O  O5  4  0.0000  0.0000  0.2143  1
  O  O6  4  0.0000  0.0000  0.3587  1
]