# generated using pymatgen
data_Nb2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.35591100
_cell_length_b   5.05729900
_cell_length_c   5.87442858
_cell_angle_alpha   87.75806236
_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   426.16959166
_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  0.15820300  0.26125800  0.20392700  1.0
  Nb  Nb1  1  0.65820300  0.73874200  0.29607300  1.0
  Nb  Nb2  1  0.84179700  0.73874200  0.79607300  1.0
  Nb  Nb3  1  0.34179700  0.26125800  0.70392700  1.0
  Nb  Nb4  1  0.16196000  0.76841700  0.84392100  1.0
  Nb  Nb5  1  0.66196000  0.23158300  0.65607900  1.0
  Nb  Nb6  1  0.83804000  0.23158300  0.15607900  1.0
  Nb  Nb7  1  0.33804000  0.76841700  0.34392100  1.0
  Cu  Cu8  1  0.00161800  0.74912900  0.34528100  1.0
  Cu  Cu9  1  0.50161800  0.25087100  0.15471900  1.0
  Cu  Cu10  1  0.99838200  0.25087100  0.65471900  1.0
  Cu  Cu11  1  0.49838200  0.74912900  0.84528100  1.0
  O  O12  1  0.09606500  0.93403600  0.13938600  1.0
  O  O13  1  0.59606500  0.06596400  0.36061400  1.0
  O  O14  1  0.90393500  0.06596400  0.86061400  1.0
  O  O15  1  0.40393500  0.93403600  0.63938600  1.0
  O  O16  1  0.07625000  0.42800200  0.40120000  1.0
  O  O17  1  0.57625000  0.57199800  0.09880000  1.0
  O  O18  1  0.92375000  0.57199800  0.59880000  1.0
  O  O19  1  0.42375000  0.42800200  0.90120000  1.0
  O  O20  1  0.24609800  0.59785000  0.14951000  1.0
  O  O21  1  0.74609800  0.40215000  0.35049000  1.0
  O  O22  1  0.75390200  0.40215000  0.85049000  1.0
  O  O23  1  0.25390200  0.59785000  0.64951000  1.0
  O  O24  1  0.24483000  0.09856700  0.90783200  1.0
  O  O25  1  0.74483000  0.90143300  0.59216800  1.0
  O  O26  1  0.75517000  0.90143300  0.09216800  1.0
  O  O27  1  0.25517000  0.09856700  0.40783200  1.0
  O  O28  1  0.09830400  0.44489400  0.92566400  1.0
  O  O29  1  0.59830400  0.55510600  0.57433600  1.0
  O  O30  1  0.90169600  0.55510600  0.07433600  1.0
  O  O31  1  0.40169600  0.44489400  0.42566400  1.0
  O  O32  1  0.07810800  0.94398000  0.65559900  1.0
  O  O33  1  0.57810800  0.05602000  0.84440100  1.0
  O  O34  1  0.92189200  0.05602000  0.34440100  1.0
  O  O35  1  0.42189200  0.94398000  0.15559900  1.0