# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50540227
_cell_length_b   5.50540227
_cell_length_c   5.14699597
_cell_angle_alpha   83.66509198
_cell_angle_beta   83.66509198
_cell_angle_gamma   124.43204738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li2 Nb2 O6'
_cell_volume   125.01378888
_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  0.65306000  0.34694000  0.50000000  1
  Li  Li1  1  0.34694000  0.65306000  0.50000000  1
  Nb  Nb2  1  0.83904900  0.16095100  0.00000000  1
  Nb  Nb3  1  0.16095100  0.83904900  0.00000000  1
  O  O4  1  0.79901300  0.79901300  0.21029800  1
  O  O5  1  0.20098700  0.20098700  0.78970200  1
  O  O6  1  0.44235300  0.03715700  0.23725600  1
  O  O7  1  0.96284300  0.55764700  0.76274400  1
  O  O8  1  0.55764700  0.96284300  0.76274400  1
  O  O9  1  0.03715700  0.44235300  0.23725600  1
