# generated using pymatgen
data_Nb2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24710100
_cell_length_b   5.67929100
_cell_length_c   14.35923000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuO6
_chemical_formula_sum   'Nb8 Cu4 O24'
_cell_volume   427.90237579
_cell_formula_units_Z   4
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  1  0.20196500  0.31633700  0.83988300  1.0
  Nb  Nb1  1  0.79803500  0.18366300  0.33988300  1.0
  Nb  Nb2  1  0.79803500  0.68366300  0.16011700  1.0
  Nb  Nb3  1  0.20196500  0.81633700  0.66011700  1.0
  Nb  Nb4  1  0.29803500  0.81633700  0.33988300  1.0
  Nb  Nb5  1  0.70196500  0.68366300  0.83988300  1.0
  Nb  Nb6  1  0.70196500  0.18366300  0.66011700  1.0
  Nb  Nb7  1  0.29803500  0.31633700  0.16011700  1.0
  Cu  Cu8  1  0.75000000  0.67094600  0.50000000  1.0
  Cu  Cu9  1  0.25000000  0.82905400  0.00000000  1.0
  Cu  Cu10  1  0.25000000  0.32905400  0.50000000  1.0
  Cu  Cu11  1  0.75000000  0.17094600  0.00000000  1.0
  O  O12  1  0.52876100  0.36624100  0.75998400  1.0
  O  O13  1  0.47123900  0.13375900  0.25998400  1.0
  O  O14  1  0.47123900  0.63375900  0.24001600  1.0
  O  O15  1  0.52876100  0.86624100  0.74001600  1.0
  O  O16  1  0.67317500  0.41407900  0.41455900  1.0
  O  O17  1  0.32682500  0.08592100  0.91455900  1.0
  O  O18  1  0.32682500  0.58592100  0.58544100  1.0
  O  O19  1  0.67317500  0.91407900  0.08544100  1.0
  O  O20  1  0.61528900  0.39960600  0.09212800  1.0
  O  O21  1  0.38471100  0.10039400  0.59212800  1.0
  O  O22  1  0.38471100  0.60039400  0.90787200  1.0
  O  O23  1  0.61528900  0.89960600  0.40787200  1.0
  O  O24  1  0.88471100  0.89960600  0.59212800  1.0
  O  O25  1  0.11528900  0.60039400  0.09212800  1.0
  O  O26  1  0.11528900  0.10039400  0.40787200  1.0
  O  O27  1  0.88471100  0.39960600  0.90787200  1.0
  O  O28  1  0.82682500  0.91407900  0.91455900  1.0
  O  O29  1  0.17317500  0.58592100  0.41455900  1.0
  O  O30  1  0.17317500  0.08592100  0.08544100  1.0
  O  O31  1  0.82682500  0.41407900  0.58544100  1.0
  O  O32  1  0.97123900  0.86624100  0.25998400  1.0
  O  O33  1  0.02876100  0.63375900  0.75998400  1.0
  O  O34  1  0.02876100  0.13375900  0.74001600  1.0
  O  O35  1  0.97123900  0.36624100  0.24001600  1.0