# generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73173224
_cell_length_b   5.73933631
_cell_length_c   5.81088951
_cell_angle_alpha   119.97094624
_cell_angle_beta   60.07354650
_cell_angle_gamma   90.65160043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiO2
_chemical_formula_sum   'Li4 Ni4 O8'
_cell_volume   136.12324803
_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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni4  1  0.50000100  0.50000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.00000200  0.50000000  0.50000000  1
  O  O8  1  0.75391600  0.72145300  0.49993800  1
  O  O9  1  0.24608300  0.27854700  0.50006200  1
  O  O10  1  0.22840200  0.74175400  0.49947400  1
  O  O11  1  0.77159700  0.25824600  0.50052600  1
  O  O12  1  0.73185500  0.26807100  0.03691800  1
  O  O13  1  0.22998300  0.26956600  0.03965100  1
  O  O14  1  0.26814500  0.73192900  0.96308200  1
  O  O15  1  0.77001600  0.73043400  0.96034900  1
