# generated using pymatgen
data_NbV3Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70696707
_cell_length_b   8.70696707
_cell_length_c   8.70696649
_cell_angle_alpha   59.92084440
_cell_angle_beta   59.92084440
_cell_angle_gamma   59.92084698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV3Cu2(PO4)6
_chemical_formula_sum   'Nb1 V3 Cu2 P6 O24'
_cell_volume   465.91338839
_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  0.14072800  0.14072800  0.14072800  1.0
  V  V1  1  0.64185500  0.64185500  0.64185500  1.0
  V  V2  1  0.85714900  0.85714900  0.85714900  1.0
  V  V3  1  0.35738700  0.35738700  0.35738700  1.0
  Cu  Cu4  1  0.99708800  0.99708800  0.99708800  1.0
  Cu  Cu5  1  0.50005900  0.50005900  0.50005900  1.0
  P  P6  1  0.95866900  0.54568700  0.25169700  1.0
  P  P7  1  0.54568700  0.25169700  0.95866900  1.0
  P  P8  1  0.25169700  0.95866900  0.54568700  1.0
  P  P9  1  0.74184600  0.03861700  0.46737000  1.0
  P  P10  1  0.46737000  0.74184600  0.03861700  1.0
  P  P11  1  0.03861700  0.46737000  0.74184600  1.0
  O  O12  1  0.50402100  0.30273900  0.12354200  1.0
  O  O13  1  0.30273900  0.12354200  0.50402100  1.0
  O  O14  1  0.12354200  0.50402100  0.30273900  1.0
  O  O15  1  0.93999800  0.73182100  0.08295000  1.0
  O  O16  1  0.99998500  0.37817200  0.19780600  1.0
  O  O17  1  0.76904000  0.55919100  0.41703800  1.0
  O  O18  1  0.73182100  0.08295000  0.93999800  1.0
  O  O19  1  0.55919100  0.41703800  0.76904000  1.0
  O  O20  1  0.80142400  0.00272300  0.62445100  1.0
  O  O21  1  0.41703800  0.76904000  0.55919100  1.0
  O  O22  1  0.91120500  0.05924900  0.27463000  1.0
  O  O23  1  0.62445100  0.80142400  0.00272300  1.0
  O  O24  1  0.37817200  0.19780600  0.99998500  1.0
  O  O25  1  0.08295000  0.93999800  0.73182100  1.0
  O  O26  1  0.58039100  0.23071800  0.44196400  1.0
  O  O27  1  0.19780600  0.99998500  0.37817200  1.0
  O  O28  1  0.44196400  0.58039100  0.23071800  1.0
  O  O29  1  0.27463000  0.91120500  0.05924900  1.0
  O  O30  1  0.23071800  0.44196400  0.58039100  1.0
  O  O31  1  0.00272300  0.62445100  0.80142400  1.0
  O  O32  1  0.05924900  0.27463000  0.91120500  1.0
  O  O33  1  0.87580700  0.49914900  0.69380700  1.0
  O  O34  1  0.69380700  0.87580700  0.49914900  1.0
  O  O35  1  0.49914900  0.69380700  0.87580700  1.0