# generated using pymatgen
data_LiNi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04982793
_cell_length_b   5.10611106
_cell_length_c   9.75220036
_cell_angle_alpha   95.33286229
_cell_angle_beta   100.83702468
_cell_angle_gamma   60.36592081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2O3
_chemical_formula_sum   'Li4 Ni8 O12'
_cell_volume   214.67157312
_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  0.90772000  0.67700800  0.75141100  1
  Li  Li1  1  0.41806800  0.65634100  0.25141700  1
  Li  Li2  1  0.25041800  0.99785900  0.74928000  1
  Li  Li3  1  0.08158300  0.33548700  0.24928800  1
  Ni  Ni4  1  0.16660700  0.66681200  0.50027200  1
  Ni  Ni5  1  0.66671400  0.66647600  0.00029600  1
  Ni  Ni6  1  0.49894200  0.00140600  0.50002400  1
  Ni  Ni7  1  0.33361000  0.33189800  0.00001200  1
  Ni  Ni8  1  0.58027900  0.34168100  0.74995000  1
  Ni  Ni9  1  0.75526800  0.99170700  0.25000500  1
  Ni  Ni10  1  0.83351700  0.33483700  0.49957900  1
  Ni  Ni11  1  0.00163300  0.99850700  0.99958600  1
  O  O12  1  0.93143600  0.36260300  0.88434500  1
  O  O13  1  0.19513700  0.36139300  0.61462100  1
  O  O14  1  0.12734200  0.97078200  0.38435500  1
  O  O15  1  0.38982800  0.97185700  0.11461900  1
  O  O16  1  0.63536400  0.01407800  0.87633700  1
  O  O17  1  0.86357600  0.03412700  0.62052100  1
  O  O18  1  0.48270500  0.31933500  0.37634700  1
  O  O19  1  0.73095000  0.29914800  0.12053700  1
  O  O20  1  0.30265700  0.67911100  0.88732600  1
  O  O21  1  0.51520600  0.66782200  0.61627700  1
  O  O22  1  0.81516700  0.65422900  0.38732500  1
  O  O23  1  0.01627600  0.66549900  0.11627200  1
