# generated using pymatgen
data_Li3Ti(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85870533
_cell_length_b   5.89096436
_cell_length_c   6.64852054
_cell_angle_alpha   102.85004426
_cell_angle_beta   102.71291123
_cell_angle_gamma   90.05276019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti(NiO3)2
_chemical_formula_sum   'Li6 Ti2 Ni4 O12'
_cell_volume   217.93184709
_cell_formula_units_Z   2
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  0.83268800  0.83340700  0.33381500  1
  Li  Li1  1  0.33311000  0.83363800  0.33341200  1
  Li  Li2  1  0.99680000  0.50697700  0.99145600  1
  Li  Li3  1  0.50009000  0.50407100  0.98552900  1
  Li  Li4  1  0.16749400  0.16172400  0.68115100  1
  Li  Li5  1  0.66961900  0.15906200  0.67481300  1
  Ti  Ti6  1  0.83653400  0.33281700  0.33399600  1
  Ti  Ti7  1  0.33608100  0.33375500  0.33288600  1
  Ni  Ni8  1  0.99736800  0.99383300  0.99644000  1
  Ni  Ni9  1  0.16680000  0.67411500  0.67130800  1
  Ni  Ni10  1  0.49953400  0.99248600  0.99456100  1
  Ni  Ni11  1  0.66823900  0.67289800  0.67006900  1
  O  O12  1  0.76765100  0.23908000  0.02108000  1
  O  O13  1  0.24096800  0.23784300  0.01649600  1
  O  O14  1  0.89770000  0.42758100  0.64582000  1
  O  O15  1  0.42605300  0.42946400  0.65030300  1
  O  O16  1  0.90106500  0.90034700  0.66612600  1
  O  O17  1  0.43270700  0.89953900  0.66833900  1
  O  O18  1  0.23391400  0.76825000  0.99813900  1
  O  O19  1  0.76384000  0.76595000  0.00034500  1
  O  O20  1  0.08399200  0.55990600  0.33300200  1
  O  O21  1  0.57836600  0.55553800  0.31746400  1
  O  O22  1  0.08764000  0.11101900  0.34971800  1
  O  O23  1  0.58174800  0.10669400  0.33374100  1
