data_[Nb2Cu2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9067]
_cell_length_b [3.8912]
_cell_length_c [3.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbCuO3]
_chemical_formula_sum '[Nb2 Cu2 O6]'
_cell_volume [169.8648]
_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
[
  Nb  Nb0  2  0.3872  0.0000  0.6932  1.0
  Cu  Cu1  2  0.0831  0.0000  0.6099  1.0
  O  O2  2  0.2287  0.0000  0.5558  1.0
  O  O3  2  0.4327  0.0000  0.2113  1.0
  O  O4  2  0.4372  0.5000  0.6935  1.0
]