# generated using pymatgen
data_Ti3NbV2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62004680
_cell_length_b   8.62004680
_cell_length_c   8.62004613
_cell_angle_alpha   61.13561407
_cell_angle_beta   61.13561407
_cell_angle_gamma   61.13561040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3NbV2(PO4)6
_chemical_formula_sum   'Ti3 Nb1 V2 P6 O24'
_cell_volume   464.48661204
_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
  Ti  Ti0  1  0.35591800  0.35591800  0.35591800  1.0
  Ti  Ti1  1  0.14358500  0.14358500  0.14358500  1.0
  Ti  Ti2  1  0.64504900  0.64504900  0.64504900  1.0
  Nb  Nb3  1  0.85800000  0.85800000  0.85800000  1.0
  V  V4  1  0.99919200  0.99919200  0.99919200  1.0
  V  V5  1  0.50002300  0.50002300  0.50002300  1.0
  P  P6  1  0.74994100  0.04597500  0.45162700  1.0
  P  P7  1  0.04597500  0.45162700  0.74994100  1.0
  P  P8  1  0.45162700  0.74994100  0.04597500  1.0
  P  P9  1  0.53637000  0.25746900  0.95603200  1.0
  P  P10  1  0.95603200  0.53637000  0.25746900  1.0
  P  P11  1  0.25746900  0.95603200  0.53637000  1.0
  O  O12  1  0.88662000  0.50083100  0.68416200  1.0
  O  O13  1  0.50083100  0.68416200  0.88662000  1.0
  O  O14  1  0.68416200  0.88662000  0.50083100  1.0
  O  O15  1  0.90878600  0.05895800  0.25855300  1.0
  O  O16  1  0.82025900  0.00808100  0.60509500  1.0
  O  O17  1  0.59111500  0.23960800  0.43824500  1.0
  O  O18  1  0.05895800  0.25855300  0.90878600  1.0
  O  O19  1  0.23960800  0.43824500  0.59111500  1.0
  O  O20  1  0.38329700  0.18670700  0.99776400  1.0
  O  O21  1  0.43824500  0.59111500  0.23960800  1.0
  O  O22  1  0.73238300  0.09836500  0.94171800  1.0
  O  O23  1  0.99776400  0.38329700  0.18670700  1.0
  O  O24  1  0.00808100  0.60509500  0.82025900  1.0
  O  O25  1  0.25855300  0.90878600  0.05895800  1.0
  O  O26  1  0.55381900  0.41470500  0.76193000  1.0
  O  O27  1  0.60509500  0.82025900  0.00808100  1.0
  O  O28  1  0.76193000  0.55381900  0.41470500  1.0
  O  O29  1  0.94171800  0.73238300  0.09836500  1.0
  O  O30  1  0.41470500  0.76193000  0.55381900  1.0
  O  O31  1  0.18670700  0.99776400  0.38329700  1.0
  O  O32  1  0.09836500  0.94171800  0.73238300  1.0
  O  O33  1  0.32469500  0.11177300  0.49333700  1.0
  O  O34  1  0.49333700  0.32469500  0.11177300  1.0
  O  O35  1  0.11177300  0.49333700  0.32469500  1.0