# generated using pymatgen
data_Li2Ti3Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69453580
_cell_length_b   8.69453580
_cell_length_c   8.69453616
_cell_angle_alpha   59.60683066
_cell_angle_beta   59.60683066
_cell_angle_gamma   59.60683639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3Ni(PO4)6
_chemical_formula_sum   'Li2 Ti3 Ni1 P6 O24'
_cell_volume   460.60217016
_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  0.01160400  0.01160400  0.01160400  1
  Li  Li1  1  0.49822800  0.49822800  0.49822800  1
  Ti  Ti2  1  0.85780800  0.85780800  0.85780800  1
  Ti  Ti3  1  0.64449500  0.64449500  0.64449500  1
  Ti  Ti4  1  0.35482500  0.35482500  0.35482500  1
  Ni  Ni5  1  0.14280600  0.14280600  0.14280600  1
  P  P6  1  0.53861500  0.95694700  0.25135200  1
  P  P7  1  0.25135200  0.53861500  0.95694700  1
  P  P8  1  0.95694700  0.25135200  0.53861500  1
  P  P9  1  0.04107600  0.75051800  0.45926000  1
  P  P10  1  0.75051800  0.45926000  0.04107600  1
  P  P11  1  0.45926000  0.04107600  0.75051800  1
  O  O12  1  0.51025400  0.88083300  0.68448900  1
  O  O13  1  0.88083300  0.68448900  0.51025400  1
  O  O14  1  0.72422100  0.94677200  0.07887100  1
  O  O15  1  0.68448900  0.51025400  0.88083300  1
  O  O16  1  0.57461500  0.76493800  0.41404200  1
  O  O17  1  0.37519300  0.98200400  0.21151800  1
  O  O18  1  0.07887100  0.72422100  0.94677200  1
  O  O19  1  0.41404200  0.57461500  0.76493800  1
  O  O20  1  0.76493800  0.41404200  0.57461500  1
  O  O21  1  0.99928800  0.80306100  0.62513300  1
  O  O22  1  0.04911200  0.91506200  0.27156900  1
  O  O23  1  0.80306100  0.62513300  0.99928800  1
  O  O24  1  0.21151800  0.37519300  0.98200400  1
  O  O25  1  0.94677200  0.07887100  0.72422100  1
  O  O26  1  0.98200400  0.21151800  0.37519300  1
  O  O27  1  0.23379900  0.58571500  0.43679600  1
  O  O28  1  0.58571500  0.43679600  0.23379900  1
  O  O29  1  0.91506200  0.27156900  0.04911200  1
  O  O30  1  0.62513300  0.99928800  0.80306100  1
  O  O31  1  0.43679600  0.23379900  0.58571500  1
  O  O32  1  0.30633800  0.49591300  0.12292800  1
  O  O33  1  0.27156900  0.04911200  0.91506200  1
  O  O34  1  0.12292800  0.30633800  0.49591300  1
  O  O35  1  0.49591300  0.12292800  0.30633800  1
