# generated using pymatgen
data_LiTiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84333559
_cell_length_b   10.02546533
_cell_length_c   5.84333946
_cell_angle_alpha   103.91027526
_cell_angle_beta   118.12559121
_cell_angle_gamma   76.08965282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiNiO4
_chemical_formula_sum   'Li4 Ti4 Ni4 O16'
_cell_volume   289.79341134
_cell_formula_units_Z   4
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  0.31431100  0.06414200  0.18568700  1
  Li  Li1  1  0.81431300  0.56414200  0.68568900  1
  Li  Li2  1  0.18568900  0.43585800  0.31431300  1
  Li  Li3  1  0.68568700  0.93585800  0.81431100  1
  Ti  Ti4  1  0.75000000  0.25000000  0.75000000  1
  Ti  Ti5  1  0.25000000  0.75000000  0.25000000  1
  Ti  Ti6  1  0.00000200  0.00000000  0.50000100  1
  Ti  Ti7  1  0.49999800  0.50000000  0.99999800  1
  Ni  Ni8  1  0.25000300  0.75000100  0.75000500  1
  Ni  Ni9  1  0.24999600  0.25000000  0.74999500  1
  Ni  Ni10  1  0.75000300  0.25000000  0.25000400  1
  Ni  Ni11  1  0.74999800  0.75000000  0.24999800  1
  O  O12  1  0.65944000  0.13150800  0.39626900  1
  O  O13  1  0.15944500  0.63150700  0.89627700  1
  O  O14  1  0.10372300  0.13150700  0.84055500  1
  O  O15  1  0.60373100  0.63150800  0.34055900  1
  O  O16  1  0.39627700  0.36849300  0.65944500  1
  O  O17  1  0.89626900  0.86849200  0.15944000  1
  O  O18  1  0.84056000  0.36849200  0.10373000  1
  O  O19  1  0.34055500  0.86849300  0.60372300  1
  O  O20  1  0.87913600  0.35944200  0.62086400  1
  O  O21  1  0.37913600  0.85944200  0.12086400  1
  O  O22  1  0.10876100  0.13017500  0.39123500  1
  O  O23  1  0.60876400  0.63017600  0.89123900  1
  O  O24  1  0.62086400  0.14055800  0.87913600  1
  O  O25  1  0.12086400  0.64055800  0.37913600  1
  O  O26  1  0.39123900  0.36982500  0.10876500  1
  O  O27  1  0.89123500  0.86982400  0.60876100  1
