# generated using pymatgen
data_Ti3VNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52010519
_cell_length_b   8.52010519
_cell_length_c   8.52010481
_cell_angle_alpha   60.95679372
_cell_angle_beta   60.95679372
_cell_angle_gamma   60.95679410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3VNi2(PO4)6
_chemical_formula_sum   'Ti3 V1 Ni2 P6 O24'
_cell_volume   446.76882718
_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  0.64478300  0.64478300  0.64478300  1.0
  Ti  Ti1  1  0.85654800  0.85654800  0.85654800  1.0
  Ti  Ti2  1  0.35475000  0.35475000  0.35475000  1.0
  V  V3  1  0.14097300  0.14097300  0.14097300  1.0
  Ni  Ni4  1  0.00054600  0.00054600  0.00054600  1.0
  Ni  Ni5  1  0.50096800  0.50096800  0.50096800  1.0
  P  P6  1  0.95337700  0.24914800  0.54594600  1.0
  P  P7  1  0.54594600  0.95337700  0.24914800  1.0
  P  P8  1  0.24914800  0.54594600  0.95337700  1.0
  P  P9  1  0.74837800  0.45489400  0.04628100  1.0
  P  P10  1  0.45489400  0.04628100  0.74837800  1.0
  P  P11  1  0.04628100  0.74837800  0.45489400  1.0
  O  O12  1  0.49875300  0.11668100  0.31647000  1.0
  O  O13  1  0.31647000  0.49875300  0.11668100  1.0
  O  O14  1  0.11668100  0.31647000  0.49875300  1.0
  O  O15  1  0.94139900  0.09035200  0.74495300  1.0
  O  O16  1  0.98900400  0.18424300  0.39312000  1.0
  O  O17  1  0.75655300  0.41207500  0.56584300  1.0
  O  O18  1  0.74495300  0.94139900  0.09035200  1.0
  O  O19  1  0.56584300  0.75655300  0.41207500  1.0
  O  O20  1  0.81616900  0.61665400  0.99864800  1.0
  O  O21  1  0.41207500  0.56584300  0.75655300  1.0
  O  O22  1  0.90225500  0.25948900  0.05485600  1.0
  O  O23  1  0.61665400  0.99864800  0.81616900  1.0
  O  O24  1  0.39312000  0.98900400  0.18424300  1.0
  O  O25  1  0.09035200  0.74495300  0.94139900  1.0
  O  O26  1  0.58690900  0.44595200  0.24220800  1.0
  O  O27  1  0.18424300  0.39312000  0.98900400  1.0
  O  O28  1  0.44595200  0.24220800  0.58690900  1.0
  O  O29  1  0.25948900  0.05485600  0.90225500  1.0
  O  O30  1  0.24220800  0.58690900  0.44595200  1.0
  O  O31  1  0.99864800  0.81616900  0.61665400  1.0
  O  O32  1  0.05485600  0.90225500  0.25948900  1.0
  O  O33  1  0.88596300  0.67617500  0.50869500  1.0
  O  O34  1  0.67617500  0.50869500  0.88596300  1.0
  O  O35  1  0.50869500  0.88596300  0.67617500  1.0