# generated using pymatgen
data_Ti2Nb(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56739277
_cell_length_b   8.56735333
_cell_length_c   8.56732414
_cell_angle_alpha   60.90055556
_cell_angle_beta   60.90031559
_cell_angle_gamma   60.90022225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Nb(PO4)3
_chemical_formula_sum   'Ti4 Nb2 P6 O24'
_cell_volume   453.68141272
_cell_formula_units_Z   2
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  0.14262834  0.14262813  0.14262879  1.0
  Ti  Ti1  1  0.35740301  0.35740256  0.35740239  1.0
  Ti  Ti2  1  0.64259699  0.64259744  0.64259761  1.0
  Ti  Ti3  1  0.85737166  0.85737187  0.85737121  1.0
  Nb  Nb4  1  -0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.50000000  1.0
  P  P6  1  0.53927061  0.25006524  0.96067916  1.0
  P  P7  1  0.96067515  0.53926575  0.25005954  1.0
  P  P8  1  0.25006152  0.96067459  0.53926773  1.0
  P  P9  1  0.74993848  0.03932541  0.46073227  1.0
  P  P10  1  0.03932485  0.46073425  0.74994046  1.0
  P  P11  1  0.46072939  0.74993476  0.03932084  1.0
  O  O12  1  0.31380090  0.11615282  0.50120996  1.0
  O  O13  1  0.50121092  0.31379879  0.11614803  1.0
  O  O14  1  0.91011338  0.05701356  0.26758935  1.0
  O  O15  1  0.11615298  0.50120970  0.31380150  1.0
  O  O16  1  0.81378081  0.00123543  0.61616040  1.0
  O  O17  1  0.58986134  0.23247208  0.44305973  1.0
  O  O18  1  0.05701339  0.26758869  0.91011332  1.0
  O  O19  1  0.23247305  0.44305867  0.58986248  1.0
  O  O20  1  0.38383600  0.18621573  -0.00123433  1.0
  O  O21  1  0.44305887  0.58986239  0.23247391  1.0
  O  O22  1  0.73241034  0.08988603  0.94298561  1.0
  O  O23  1  -0.00123619  0.38384223  0.18621874  1.0
  O  O24  1  0.00123619  0.61615777  0.81378126  1.0
  O  O25  1  0.26758966  0.91011397  0.05701439  1.0
  O  O26  1  0.55694113  0.41013761  0.76752609  1.0
  O  O27  1  0.61616400  0.81378427  0.00123433  1.0
  O  O28  1  0.76752695  0.55694133  0.41013752  1.0
  O  O29  1  0.94298661  0.73241131  0.08988668  1.0
  O  O30  1  0.41013866  0.76752792  0.55694027  1.0
  O  O31  1  0.18621919  -0.00123543  0.38383960  1.0
  O  O32  1  0.88384702  0.49879030  0.68619850  1.0
  O  O33  1  0.08988662  0.94298644  0.73241065  1.0
  O  O34  1  0.49878908  0.68620121  0.88385197  1.0
  O  O35  1  0.68619910  0.88384718  0.49879004  1.0