# generated using pymatgen
data_TiFe3Ni2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48515777
_cell_length_b   8.48515642
_cell_length_c   8.48515679
_cell_angle_alpha   61.06575562
_cell_angle_beta   61.06575083
_cell_angle_gamma   61.06574995
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe3Ni2(PO4)6
_chemical_formula_sum   'Ti1 Fe3 Ni2 P6 O24'
_cell_volume   442.34648565
_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  0.85519000  0.85519000  0.85519000  1.0
  Fe  Fe1  1  0.14507900  0.14507900  0.14507900  1.0
  Fe  Fe2  1  0.35623600  0.35623600  0.35623600  1.0
  Fe  Fe3  1  0.64395000  0.64395000  0.64395000  1.0
  Ni  Ni4  1  0.00083900  0.00083900  0.00083900  1.0
  Ni  Ni5  1  0.50068700  0.50068700  0.50068700  1.0
  P  P6  1  0.74953200  0.45240700  0.04590600  1.0
  P  P7  1  0.04590600  0.74953200  0.45240700  1.0
  P  P8  1  0.45240700  0.04590600  0.74953200  1.0
  P  P9  1  0.25087500  0.54562800  0.95381100  1.0
  P  P10  1  0.54562800  0.95381100  0.25087500  1.0
  P  P11  1  0.95381100  0.25087500  0.54562800  1.0
  O  O12  1  0.11015400  0.31763900  0.50726100  1.0
  O  O13  1  0.31763900  0.50726100  0.11015400  1.0
  O  O14  1  0.06052100  0.90863600  0.25539600  1.0
  O  O15  1  0.50726100  0.11015400  0.31763900  1.0
  O  O16  1  0.99265600  0.82225800  0.61463700  1.0
  O  O17  1  0.24398600  0.59318300  0.44477000  1.0
  O  O18  1  0.25539600  0.06052100  0.90863600  1.0
  O  O19  1  0.44477000  0.24398600  0.59318300  1.0
  O  O20  1  0.18070400  0.39078600  0.99505500  1.0
  O  O21  1  0.59318300  0.44477000  0.24398600  1.0
  O  O22  1  0.09000200  0.74619400  0.93678600  1.0
  O  O23  1  0.39078600  0.99505500  0.18070400  1.0
  O  O24  1  0.61463700  0.99265600  0.82225800  1.0
  O  O25  1  0.90863600  0.25539600  0.06052100  1.0
  O  O26  1  0.40728300  0.56273900  0.75370800  1.0
  O  O27  1  0.82225800  0.61463700  0.99265600  1.0
  O  O28  1  0.56273900  0.75370800  0.40728300  1.0
  O  O29  1  0.74619400  0.93678600  0.09000200  1.0
  O  O30  1  0.75370800  0.40728300  0.56273900  1.0
  O  O31  1  0.99505500  0.18070400  0.39078600  1.0
  O  O32  1  0.49520900  0.89099400  0.67930300  1.0
  O  O33  1  0.93678600  0.09000200  0.74619400  1.0
  O  O34  1  0.67930300  0.49520900  0.89099400  1.0
  O  O35  1  0.89099400  0.67930300  0.49520900  1.0