# generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96490013
_cell_length_b   4.98334656
_cell_length_c   3.96489500
_cell_angle_alpha   66.53603949
_cell_angle_beta   90.01972687
_cell_angle_gamma   113.46405506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiO2
_chemical_formula_sum   'Li2 Ni2 O4'
_cell_volume   64.74460175
_cell_formula_units_Z   2
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  0.24973562  0.49999976  0.24974457  1
  Li  Li1  1  0.50026159  0.99999857  0.50027172  1
  Ni  Ni2  1  0.00005599  -0.00000276  0.00007434  1
  Ni  Ni3  1  0.74994502  0.50000234  0.74995812  1
  O  O4  1  0.76971687  0.53975713  0.23009471  1
  O  O5  1  0.23013229  0.46024438  0.76972389  1
  O  O6  1  0.51987045  0.03976136  0.98028790  1
  O  O7  1  0.98028216  0.96023721  0.51984276  1
