# generated using pymatgen
data_Ti3NbNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63109050
_cell_length_b   8.63109050
_cell_length_c   8.63109059
_cell_angle_alpha   60.68437447
_cell_angle_beta   60.68437447
_cell_angle_gamma   60.68436856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3NbNi2(PO4)6
_chemical_formula_sum   'Ti3 Nb1 Ni2 P6 O24'
_cell_volume   461.67856165
_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  0.85800200  0.85800200  0.85800200  1.0
  Ti  Ti1  1  0.64508900  0.64508900  0.64508900  1.0
  Ti  Ti2  1  0.35422400  0.35422400  0.35422400  1.0
  Nb  Nb3  1  0.14065300  0.14065300  0.14065300  1.0
  Ni  Ni4  1  0.99861200  0.99861200  0.99861200  1.0
  Ni  Ni5  1  0.50017100  0.50017100  0.50017100  1.0
  P  P6  1  0.95127700  0.25175200  0.54565100  1.0
  P  P7  1  0.54565100  0.95127700  0.25175200  1.0
  P  P8  1  0.74263000  0.46516700  0.04665800  1.0
  P  P9  1  0.46516700  0.04665800  0.74263000  1.0
  P  P10  1  0.04665800  0.74263000  0.46516700  1.0
  P  P11  1  0.25175200  0.54565100  0.95127700  1.0
  O  O12  1  0.88922300  0.67868300  0.50468600  1.0
  O  O13  1  0.67868300  0.50468600  0.88922300  1.0
  O  O14  1  0.93611500  0.09043700  0.73423300  1.0
  O  O15  1  0.50468600  0.88922300  0.67868300  1.0
  O  O16  1  0.99488200  0.18762400  0.38531200  1.0
  O  O17  1  0.75844000  0.41377100  0.55644000  1.0
  O  O18  1  0.73423300  0.93611500  0.09043700  1.0
  O  O19  1  0.55644000  0.75844000  0.41377100  1.0
  O  O20  1  0.81072600  0.62066400  0.00169500  1.0
  O  O21  1  0.41377100  0.55644000  0.75844000  1.0
  O  O22  1  0.90367300  0.27171600  0.06340000  1.0
  O  O23  1  0.62066400  0.00169500  0.81072600  1.0
  O  O24  1  0.38531200  0.99488200  0.18762400  1.0
  O  O25  1  0.09043700  0.73423300  0.93611500  1.0
  O  O26  1  0.58281900  0.44828500  0.24137300  1.0
  O  O27  1  0.18762400  0.38531200  0.99488200  1.0
  O  O28  1  0.44828500  0.24137300  0.58281900  1.0
  O  O29  1  0.27171600  0.06340000  0.90367300  1.0
  O  O30  1  0.24137300  0.58281900  0.44828500  1.0
  O  O31  1  0.00169500  0.81072600  0.62066400  1.0
  O  O32  1  0.49783800  0.11294000  0.31513700  1.0
  O  O33  1  0.06340000  0.90367300  0.27171600  1.0
  O  O34  1  0.31513700  0.49783800  0.11294000  1.0
  O  O35  1  0.11294000  0.31513700  0.49783800  1.0