# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15394329
_cell_length_b   5.53152931
_cell_length_c   17.21247029
_cell_angle_alpha   87.57036457
_cell_angle_beta   98.63069517
_cell_angle_gamma   117.77099083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li8 Nb8 O24'
_cell_volume   429.06236196
_cell_formula_units_Z   8
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  0.44015639  0.80784954  0.07357330  1
  Li  Li1  1  0.93930490  0.55733773  0.32341172  1
  Li  Li2  1  0.19250187  0.18436056  0.19890033  1
  Li  Li3  1  0.43942237  0.30738526  0.57340122  1
  Li  Li4  1  0.69229906  0.93311764  0.44859248  1
  Li  Li5  1  0.93903964  0.05720976  0.82336664  1
  Li  Li6  1  0.19178317  0.68415994  0.69890677  1
  Li  Li7  1  0.69235631  0.43324804  0.94856107  1
  Nb  Nb8  1  0.01759992  0.03199841  0.00293925  1
  Nb  Nb9  1  0.51734022  0.78189030  0.25284971  1
  Nb  Nb10  1  0.76758491  0.40691916  0.12784411  1
  Nb  Nb11  1  0.01695320  0.53157592  0.50288201  1
  Nb  Nb12  1  0.26721066  0.15643452  0.37776417  1
  Nb  Nb13  1  0.51691147  0.28207397  0.75291988  1
  Nb  Nb14  1  0.76686327  0.90676937  0.62782866  1
  Nb  Nb15  1  0.26733411  0.65683178  0.87798356  1
  O  O16  1  0.48037091  0.04161310  0.18227583  1
  O  O17  1  0.43715600  0.19528763  0.02879973  1
  O  O18  1  0.91939846  0.12936389  0.09480035  1
  O  O19  1  0.53735598  0.57003303  0.15380811  1
  O  O20  1  0.05523617  0.50415842  0.21973956  1
  O  O21  1  0.98017421  0.79112542  0.43216068  1
  O  O22  1  0.99406373  0.66673591  0.05735688  1
  O  O23  1  0.93692628  0.94454280  0.27879972  1
  O  O24  1  0.41960344  0.87912163  0.34475066  1
  O  O25  1  0.03739578  0.31977229  0.40382280  1
  O  O26  1  0.55506802  0.25396708  0.46964385  1
  O  O27  1  0.47987153  0.54187751  0.68236188  1
  O  O28  1  0.49334684  0.41601062  0.30712847  1
  O  O29  1  0.43661543  0.69483803  0.52885331  1
  O  O30  1  0.91882489  0.62919817  0.59470008  1
  O  O31  1  0.53712172  0.07030317  0.65385902  1
  O  O32  1  0.05475777  0.00423702  0.71969849  1
  O  O33  1  0.98024562  0.29159400  0.93233621  1
  O  O34  1  0.99342878  0.16630172  0.55724624  1
  O  O35  1  0.93631423  0.44506911  0.77893857  1
  O  O36  1  0.41885284  0.37941363  0.84479801  1
  O  O37  1  0.03673271  0.81977456  0.90391911  1
  O  O38  1  0.55509526  0.75461293  0.96979925  1
  O  O39  1  0.49297692  0.91648644  0.80727829  1
