data_[Nd5Cu5O13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P4/m]
_cell_length_a [8.4691]
_cell_length_b [8.4691]
_cell_length_c [3.8278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [Nd5Cu5O13]
_chemical_formula_sum '[Nd5 Cu5 O13]'
_cell_volume [274.5485]
_cell_formula_units_Z [1]
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  0.1531  0.7368  0.5000  1
  Nd  Nd1  1  0.5000  0.5000  0.5000  1
  Cu  Cu2  4  0.1600  0.4349  0.0000  1
  Cu  Cu3  1  0.0000  0.0000  0.0000  1
  O  O4  4  0.0419  0.2411  0.0000  1
  O  O5  4  0.1798  0.4348  0.5000  1
  O  O6  4  0.2988  0.6125  0.0000  1
  O  O7  1  0.0000  0.0000  0.5000  1
]