# generated using pymatgen
data_Nb2Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25898785
_cell_length_b   5.52568529
_cell_length_c   6.21423293
_cell_angle_alpha   73.52601491
_cell_angle_beta   81.79129698
_cell_angle_gamma   66.66135993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Cu3O8
_chemical_formula_sum   'Nb2 Cu3 O8'
_cell_volume   158.90556879
_cell_formula_units_Z   1
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  0.78178400  0.45797700  0.34607400  1.0
  Nb  Nb1  1  0.21812100  0.54201500  0.65399500  1.0
  Cu  Cu2  1  0.00006000  0.99999300  0.00000600  1.0
  Cu  Cu3  1  0.53631100  0.93311600  0.75355900  1.0
  Cu  Cu4  1  0.46367800  0.06687300  0.24633500  1.0
  O  O5  1  0.76125000  0.79960600  0.10715600  1.0
  O  O6  1  0.23883600  0.20035800  0.89284200  1.0
  O  O7  1  0.73721600  0.25431300  0.16708300  1.0
  O  O8  1  0.26284900  0.74572900  0.83286900  1.0
  O  O9  1  0.63104100  0.26256900  0.62411300  1.0
  O  O10  1  0.36892700  0.73735700  0.37589700  1.0
  O  O11  1  0.83003300  0.68577300  0.60115300  1.0
  O  O12  1  0.16989300  0.31431900  0.39891800  1.0