data_[Nd8Cu4O14]
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 [C2/m]
_cell_length_a [12.8164]
_cell_length_b [3.7979]
_cell_length_c [8.5286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Cu2O7]
_chemical_formula_sum '[Nd8 Cu4 O14]'
_cell_volume [391.4718]
_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  0.1426  0.5000  0.8339  1.0
  Nd  Nd1  4  0.1593  0.5000  0.3192  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.0103  0.0000  0.2911  1.0
  O  O5  4  0.2249  0.5000  0.6153  1.0
  O  O6  4  0.2479  0.5000  0.1199  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]