# generated using pymatgen
data_Li4TiFe2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50462821
_cell_length_b   8.60270922
_cell_length_c   8.60285994
_cell_angle_alpha   61.39626803
_cell_angle_beta   61.52794399
_cell_angle_gamma   61.76305949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiFe2Ni3(PO4)6
_chemical_formula_sum   'Li4 Ti1 Fe2 Ni3 P6 O24'
_cell_volume   460.65308486
_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
  Li  Li0  1  0.74312400  0.15150300  0.36162900  1
  Li  Li1  1  0.29660700  0.84885900  0.64043800  1
  Li  Li2  1  0.63782500  0.29737200  0.85148600  1
  Li  Li3  1  0.85199400  0.63691700  0.30114700  1
  Ti  Ti4  1  0.85131000  0.84483400  0.85141100  1
  Fe  Fe5  1  0.01191500  0.00014600  0.99887800  1
  Fe  Fe6  1  0.49000800  0.50395000  0.50076200  1
  Ni  Ni7  1  0.14414600  0.14842300  0.14521600  1
  Ni  Ni8  1  0.35873300  0.35466000  0.35241800  1
  Ni  Ni9  1  0.64430100  0.64810400  0.64976400  1
  P  P10  1  0.24354200  0.54765000  0.96093500  1
  P  P11  1  0.55511500  0.96249700  0.24660100  1
  P  P12  1  0.94538900  0.24322000  0.53984800  1
  P  P13  1  0.05180000  0.74303400  0.44799400  1
  P  P14  1  0.44629800  0.04487200  0.75082500  1
  P  P15  1  0.74928000  0.44418600  0.04490200  1
  O  O16  1  0.12217000  0.27730300  0.49814500  1
  O  O17  1  0.29561800  0.52967800  0.11551400  1
  O  O18  1  0.06653600  0.90547800  0.26132000  1
  O  O19  1  0.56194800  0.10915300  0.29426800  1
  O  O20  1  0.99084300  0.81148800  0.61603200  1
  O  O21  1  0.24233500  0.58631500  0.45126400  1
  O  O22  1  0.25368600  0.08032800  0.90184200  1
  O  O23  1  0.47400600  0.22446400  0.58281500  1
  O  O24  1  0.15693100  0.40730100  0.00874000  1
  O  O25  1  0.59911200  0.44065800  0.24081400  1
  O  O26  1  0.10155100  0.75981300  0.90489900  1
  O  O27  1  0.40039400  0.03343100  0.16871300  1
  O  O28  1  0.61350900  0.97542600  0.82585300  1
  O  O29  1  0.90114800  0.24820500  0.07312800  1
  O  O30  1  0.41161800  0.54840900  0.76814900  1
  O  O31  1  0.81957800  0.61003300  0.98370300  1
  O  O32  1  0.54275600  0.77466700  0.41664600  1
  O  O33  1  0.76166100  0.89760800  0.10189900  1
  O  O34  1  0.75826900  0.41898400  0.54938900  1
  O  O35  1  0.95456800  0.17532500  0.40062400  1
  O  O36  1  0.46973900  0.89185000  0.69132000  1
  O  O37  1  0.89918300  0.10097900  0.74997200  1
  O  O38  1  0.68378500  0.47336000  0.89376600  1
  O  O39  1  0.89766700  0.67651600  0.47993000  1
