# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72653508
_cell_length_b   5.72653508
_cell_length_c   5.72653564
_cell_angle_alpha   54.95948858
_cell_angle_beta   54.95948858
_cell_angle_gamma   54.95949492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li2 Nb2 O6'
_cell_volume   117.21291827
_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  0.63781000  0.63781000  0.63781000  1
  Li  Li1  1  0.36219000  0.36219000  0.36219000  1
  Nb  Nb2  1  0.85560900  0.85560900  0.85560900  1
  Nb  Nb3  1  0.14439100  0.14439100  0.14439100  1
  O  O4  1  0.78391600  0.04583700  0.43785100  1
  O  O5  1  0.43785100  0.78391600  0.04583700  1
  O  O6  1  0.04583700  0.43785100  0.78391600  1
  O  O7  1  0.21608400  0.95416300  0.56214900  1
  O  O8  1  0.56214900  0.21608400  0.95416300  1
  O  O9  1  0.95416300  0.56214900  0.21608400  1
