data_[Nd8Cu2O14]
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 [13.1125]
_cell_length_b [4.0157]
_cell_length_c [9.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4CuO7]
_chemical_formula_sum '[Nd8 Cu2 O14]'
_cell_volume [352.4018]
_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  0.0846  0.5000  0.3897  1.0
  Nd  Nd1  4  0.2448  0.5000  0.1536  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.0869  0.0000  0.8948  1.0
  O  O4  4  0.1333  0.5000  0.6985  1.0
  O  O5  4  0.2036  0.0000  0.5543  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
]