# generated using pymatgen
data_Li3NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59769300
_cell_length_b   8.79620600
_cell_length_c   8.83126701
_cell_angle_alpha   90.00364668
_cell_angle_beta   89.99714291
_cell_angle_gamma   89.99987554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiO3
_chemical_formula_sum   'Li12 Ni4 O12'
_cell_volume   279.47470557
_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  0.99999600  0.16819300  0.16899700  1
  Li  Li1  1  0.50002200  0.33179800  0.66907300  1
  Li  Li2  1  0.50000500  0.66844200  0.33105800  1
  Li  Li3  1  0.00000600  0.83156800  0.83103900  1
  Li  Li4  1  0.49996200  0.10183300  0.36010000  1
  Li  Li5  1  0.99999900  0.14030100  0.60243700  1
  Li  Li6  1  0.50000100  0.35975100  0.10247600  1
  Li  Li7  1  0.99999200  0.39818000  0.86019000  1
  Li  Li8  1  0.00000300  0.60186600  0.14048200  1
  Li  Li9  1  0.49999900  0.64028900  0.89760800  1
  Li  Li10  1  0.99999400  0.85975500  0.39761900  1
  Li  Li11  1  0.50000300  0.89814200  0.64050900  1
  Ni  Ni12  1  0.00001100  0.61249500  0.61329800  1
  Ni  Ni13  1  0.50001000  0.88747500  0.11344300  1
  Ni  Ni14  1  0.49999600  0.11262400  0.88644600  1
  Ni  Ni15  1  0.99999900  0.38738000  0.38628200  1
  O  O16  1  0.50001200  0.09859200  0.10346400  1
  O  O17  1  0.00004300  0.40136000  0.60327800  1
  O  O18  1  0.00000200  0.59856600  0.39629300  1
  O  O19  1  0.50000300  0.90144000  0.89644200  1
  O  O20  1  0.49998800  0.11211600  0.67643700  1
  O  O21  1  0.99995400  0.18146400  0.38866000  1
  O  O22  1  0.49998600  0.31855500  0.88876100  1
  O  O23  1  0.99998800  0.38788600  0.17627900  1
  O  O24  1  0.00001100  0.61198800  0.82334900  1
  O  O25  1  0.50000600  0.68150900  0.11125100  1
  O  O26  1  0.00000400  0.81846500  0.61122600  1
  O  O27  1  0.50000400  0.88796700  0.32350300  1
