# generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76825623
_cell_length_b   2.90699468
_cell_length_c   9.45323310
_cell_angle_alpha   83.28309555
_cell_angle_beta   89.98594183
_cell_angle_gamma   61.59200756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiO2
_chemical_formula_sum   'Li2 Ni2 O4'
_cell_volume   66.31946296
_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  0.74930715  0.50007070  0.24998219  1.0
  Li  Li1  1  0.25069661  0.49992071  0.75002171  1.0
  Ni  Ni2  1  0.50000574  0.99997158  0.50000864  1.0
  Ni  Ni3  1  -0.00001123  0.00002546  0.99999049  1.0
  O  O4  1  0.38574524  0.22877572  0.11305359  1.0
  O  O5  1  0.88547858  0.22954961  0.61300702  1.0
  O  O6  1  0.11453333  0.77041288  0.38701004  1.0
  O  O7  1  0.61424458  0.77127135  0.88692532  1.0