# generated using pymatgen
data_Li6TiNi3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60191000
_cell_length_b   8.63950317
_cell_length_c   8.65884547
_cell_angle_alpha   61.41137694
_cell_angle_beta   61.28442883
_cell_angle_gamma   61.18166426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6TiNi3(PO4)6
_chemical_formula_sum   'Li6 Ti1 Ni3 P6 O24'
_cell_volume   468.23499808
_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  0.97703600  0.99888900  0.98414800  1
  Li  Li1  1  0.25609500  0.64851000  0.84243500  1
  Li  Li2  1  0.52086000  0.51229700  0.49654100  1
  Li  Li3  1  0.70585600  0.35751200  0.15011400  1
  Li  Li4  1  0.34949200  0.16015000  0.70007500  1
  Li  Li5  1  0.15641700  0.70153100  0.35318800  1
  Ti  Ti6  1  0.14865800  0.14644500  0.14802400  1
  Ni  Ni7  1  0.85733100  0.85860700  0.85380500  1
  Ni  Ni8  1  0.64244900  0.64404700  0.64118100  1
  Ni  Ni9  1  0.35395200  0.35307900  0.35244700  1
  P  P10  1  0.95361600  0.55207900  0.24988900  1
  P  P11  1  0.55009400  0.25097000  0.95551400  1
  P  P12  1  0.24998100  0.95817700  0.54875900  1
  P  P13  1  0.75250600  0.04689800  0.45242300  1
  P  P14  1  0.45068900  0.75110600  0.03778700  1
  P  P15  1  0.04599400  0.46063800  0.75515000  1
  O  O16  1  0.86521100  0.49282000  0.73752900  1
  O  O17  1  0.72399000  0.87353800  0.47956100  1
  O  O18  1  0.94139500  0.73698300  0.08630500  1
  O  O19  1  0.44680500  0.71876900  0.88045700  1
  O  O20  1  0.76609000  0.55469700  0.40828100  1
  O  O21  1  0.01295300  0.38515600  0.18397000  1
  O  O22  1  0.74111800  0.10003700  0.91796600  1
  O  O23  1  0.52641000  0.42232100  0.77976800  1
  O  O24  1  0.40555900  0.76546000  0.55326600  1
  O  O25  1  0.81985700  0.99946900  0.60790000  1
  O  O26  1  0.89745600  0.10134900  0.25222000  1
  O  O27  1  0.61535100  0.80897500  0.98222300  1
  O  O28  1  0.38539800  0.17832300  0.02128900  1
  O  O29  1  0.09760400  0.92815000  0.74188200  1
  O  O30  1  0.17885300  0.01806400  0.38674600  1
  O  O31  1  0.57879600  0.22779700  0.45648600  1
  O  O32  1  0.45626900  0.57825100  0.21969600  1
  O  O33  1  0.25390100  0.90067900  0.10215000  1
  O  O34  1  0.03788500  0.60808100  0.81281200  1
  O  O35  1  0.22241800  0.45592200  0.57516500  1
  O  O36  1  0.53205100  0.29832400  0.11523000  1
  O  O37  1  0.10121800  0.25801100  0.89917600  1
  O  O38  1  0.31001200  0.11139500  0.52367200  1
  O  O39  1  0.11237900  0.52549400  0.30576900  1
