# generated using pymatgen
data_Li3Ti(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89733158
_cell_length_b   5.89733157
_cell_length_c   5.92262929
_cell_angle_alpha   89.60204527
_cell_angle_beta   59.83293034
_cell_angle_gamma   59.84795396
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti(NiO2)4
_chemical_formula_sum   'Li3 Ti1 Ni4 O8'
_cell_volume   145.44992526
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Ti  Ti3  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni4  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.00000000  0.50000000  0.00000000  1
  O  O8  1  0.48922000  0.26218900  0.77296800  1
  O  O9  1  0.97626600  0.26022200  0.76046500  1
  O  O10  1  0.49975700  0.73673100  0.76046500  1
  O  O11  1  0.98126800  0.74983600  0.76856900  1
  O  O12  1  0.01873200  0.25016400  0.23143100  1
  O  O13  1  0.50024300  0.26326900  0.23953500  1
  O  O14  1  0.02373400  0.73977800  0.23953500  1
  O  O15  1  0.51078000  0.73781100  0.22703200  1
