# generated using pymatgen
data_Li2Ti(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80998452
_cell_length_b   7.80998452
_cell_length_c   5.90383317
_cell_angle_alpha   78.23793664
_cell_angle_beta   78.23793664
_cell_angle_gamma   67.74231666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti(NiO3)2
_chemical_formula_sum   'Li6 Ti3 Ni6 O18'
_cell_volume   323.07697743
_cell_formula_units_Z   3
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  0.00455800  0.34498200  0.66817400  1
  Li  Li1  1  0.34498200  0.00455800  0.66817400  1
  Li  Li2  1  0.99544200  0.65501800  0.33182600  1
  Li  Li3  1  0.65501800  0.99544200  0.33182600  1
  Li  Li4  1  0.32463100  0.67536900  0.00000000  1
  Li  Li5  1  0.67536900  0.32463100  0.00000000  1
  Ti  Ti6  1  0.32895600  0.67104400  0.50000000  1
  Ti  Ti7  1  0.00000000  0.00000000  0.50000000  1
  Ti  Ti8  1  0.67104400  0.32895600  0.50000000  1
  Ni  Ni9  1  0.00580100  0.33362100  0.16274600  1
  Ni  Ni10  1  0.66384300  0.66384300  0.15864400  1
  Ni  Ni11  1  0.33362100  0.00580100  0.16274600  1
  Ni  Ni12  1  0.99419900  0.66637900  0.83725400  1
  Ni  Ni13  1  0.66637900  0.99419900  0.83725400  1
  Ni  Ni14  1  0.33615700  0.33615700  0.84135600  1
  O  O15  1  0.51258900  0.51258900  0.26298300  1
  O  O16  1  0.84778800  0.48473400  0.94757300  1
  O  O17  1  0.48473400  0.84778800  0.94757300  1
  O  O18  1  0.48741100  0.48741100  0.73701700  1
  O  O19  1  0.83449900  0.47984400  0.39564300  1
  O  O20  1  0.47984400  0.83449900  0.39564300  1
  O  O21  1  0.15221200  0.51526600  0.05242700  1
  O  O22  1  0.81174100  0.81174100  0.07042000  1
  O  O23  1  0.51526600  0.15221200  0.05242700  1
  O  O24  1  0.16550100  0.52015600  0.60435700  1
  O  O25  1  0.84198700  0.84198700  0.61108600  1
  O  O26  1  0.52015600  0.16550100  0.60435700  1
  O  O27  1  0.16059200  0.82648100  0.28083400  1
  O  O28  1  0.82648100  0.16059200  0.28083400  1
  O  O29  1  0.18825900  0.18825900  0.92958000  1
  O  O30  1  0.17351900  0.83940800  0.71916600  1
  O  O31  1  0.83940800  0.17351900  0.71916600  1
  O  O32  1  0.15801300  0.15801300  0.38891400  1
