# generated using pymatgen
data_Li4TiNi5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38947800
_cell_length_b   8.46470850
_cell_length_c   8.48317860
_cell_angle_alpha   62.36554350
_cell_angle_beta   62.65352068
_cell_angle_gamma   62.58600916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiNi5(PO4)6
_chemical_formula_sum   'Li4 Ti1 Ni5 P6 O24'
_cell_volume   450.03449472
_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  0.25201700  0.64231100  0.85084900  1
  Li  Li1  1  0.71327400  0.34902500  0.15102800  1
  Li  Li2  1  0.35497200  0.14736000  0.71063700  1
  Li  Li3  1  0.14594200  0.71073100  0.35426200  1
  Ti  Ti4  1  0.14785500  0.14969300  0.15224800  1
  Ni  Ni5  1  0.99084600  0.00038500  0.99911800  1
  Ni  Ni6  1  0.64135200  0.64522300  0.64250900  1
  Ni  Ni7  1  0.50704200  0.49802700  0.49715700  1
  Ni  Ni8  1  0.85716100  0.85553400  0.85355000  1
  Ni  Ni9  1  0.35541300  0.35256900  0.35289700  1
  P  P10  1  0.94626900  0.55642600  0.25710100  1
  P  P11  1  0.55903400  0.24920900  0.95063400  1
  P  P12  1  0.25223700  0.95139000  0.55592500  1
  P  P13  1  0.75382700  0.04330900  0.45428400  1
  P  P14  1  0.44505600  0.75145700  0.04145400  1
  P  P15  1  0.05281900  0.45681200  0.75470700  1
  O  O16  1  0.52957600  0.31683800  0.10338400  1
  O  O17  1  0.32116800  0.10400100  0.52490200  1
  O  O18  1  0.09920100  0.52294800  0.32941700  1
  O  O19  1  0.94134900  0.74269600  0.09192400  1
  O  O20  1  0.00972300  0.38607200  0.18635300  1
  O  O21  1  0.75225900  0.55675100  0.40651000  1
  O  O22  1  0.75154900  0.09563000  0.92637500  1
  O  O23  1  0.53993600  0.41023800  0.76445300  1
  O  O24  1  0.83488200  0.00283500  0.59908100  1
  O  O25  1  0.39782300  0.75229800  0.56262100  1
  O  O26  1  0.90353200  0.08254000  0.24479500  1
  O  O27  1  0.60452000  0.82268100  0.98250400  1
  O  O28  1  0.38847400  0.17573700  0.01578300  1
  O  O29  1  0.10169400  0.92563200  0.75298500  1
  O  O30  1  0.59649400  0.24410800  0.43753100  1
  O  O31  1  0.18187400  0.01106200  0.38793100  1
  O  O32  1  0.43791900  0.59357000  0.23975200  1
  O  O33  1  0.23976000  0.90533600  0.08599400  1
  O  O34  1  0.24967300  0.43280400  0.59333800  1
  O  O35  1  0.04102900  0.59946200  0.82429800  1
  O  O36  1  0.08120800  0.24930200  0.90642900  1
  O  O37  1  0.88350800  0.50050500  0.70457500  1
  O  O38  1  0.69050300  0.89071300  0.47920800  1
  O  O39  1  0.44723600  0.69378200  0.89449400  1
