# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22992700
_cell_length_b   5.57961066
_cell_length_c   30.29218475
_cell_angle_alpha   87.37851116
_cell_angle_beta   85.05839621
_cell_angle_gamma   62.10405718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li14 Nb14 O42'
_cell_volume   778.31958400
_cell_formula_units_Z   14
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  0.31561100  0.39938600  0.96702100  1
  Li  Li1  1  0.84859800  0.48862100  0.81466800  1
  Li  Li2  1  0.02703100  0.04865000  0.89712200  1
  Li  Li3  1  0.27730800  0.77357000  0.67268000  1
  Li  Li4  1  0.56241300  0.12990200  0.74395900  1
  Li  Li5  1  0.70611600  0.05912000  0.52958900  1
  Li  Li6  1  0.99083600  0.41627000  0.60103200  1
  Li  Li7  1  0.13467300  0.34487300  0.38673300  1
  Li  Li8  1  0.41946600  0.70198300  0.45814900  1
  Li  Li9  1  0.56328400  0.63036500  0.24392500  1
  Li  Li10  1  0.84803500  0.98768800  0.31530900  1
  Li  Li11  1  0.99107200  0.91627300  0.10094700  1
  Li  Li12  1  0.27689100  0.27326600  0.17260500  1
  Li  Li13  1  0.70261900  0.56733600  0.02953900  1
  Nb  Nb14  1  0.01953800  0.97199900  0.99760300  1
  Nb  Nb15  1  0.44865400  0.25320600  0.85429700  1
  Nb  Nb16  1  0.72044100  0.62503300  0.92469600  1
  Nb  Nb17  1  0.88022000  0.52648600  0.71207000  1
  Nb  Nb18  1  0.16669900  0.88406900  0.78386200  1
  Nb  Nb19  1  0.30995000  0.81053500  0.56912100  1
  Nb  Nb20  1  0.59574600  0.16818900  0.64059300  1
  Nb  Nb21  1  0.73860300  0.09624500  0.42623600  1
  Nb  Nb22  1  0.02484400  0.45339900  0.49765300  1
  Nb  Nb23  1  0.16717400  0.38205000  0.28340200  1
  Nb  Nb24  1  0.45339900  0.73914800  0.35479300  1
  Nb  Nb25  1  0.59415000  0.67008600  0.14082600  1
  Nb  Nb26  1  0.88163400  0.02542900  0.21204800  1
  Nb  Nb27  1  0.30650000  0.31634400  0.06977700  1
  O  O28  1  0.44361000  0.96781500  0.89367200  1
  O  O29  1  0.42783400  0.77679000  0.98243700  1
  O  O30  1  0.91739600  0.85331200  0.94645800  1
  O  O31  1  0.52564600  0.42260900  0.91061300  1
  O  O32  1  0.00131400  0.48838100  0.87517200  1
  O  O33  1  0.87062600  0.25712600  0.75176200  1
  O  O34  1  0.97301600  0.32953200  0.96536600  1
  O  O35  1  0.85730500  0.08661700  0.83909800  1
  O  O36  1  0.32841300  0.15295600  0.80355300  1
  O  O37  1  0.93402800  0.72652300  0.76793500  1
  O  O38  1  0.42963100  0.79811800  0.73237000  1
  O  O39  1  0.29885200  0.54198400  0.60894700  1
  O  O40  1  0.41233200  0.60638400  0.82183900  1
  O  O41  1  0.28625700  0.36836800  0.69629400  1
  O  O42  1  0.75468600  0.44011600  0.66071700  1
  O  O43  1  0.36283600  0.01059200  0.62483900  1
  O  O44  1  0.85876400  0.08266700  0.58918000  1
  O  O45  1  0.72728900  0.82785800  0.46607700  1
  O  O46  1  0.83527600  0.89979900  0.68044300  1
  O  O47  1  0.71587100  0.65358200  0.55338800  1
  O  O48  1  0.18350900  0.72558900  0.51766900  1
  O  O49  1  0.79133100  0.29631200  0.48194800  1
  O  O50  1  0.28754600  0.36841500  0.44624300  1
  O  O51  1  0.15584600  0.11358800  0.32321900  1
  O  O52  1  0.26436400  0.18511300  0.53750800  1
  O  O53  1  0.14448400  0.93931000  0.41051800  1
  O  O54  1  0.61206900  0.01131100  0.37480000  1
  O  O55  1  0.21992500  0.58197000  0.33910700  1
  O  O56  1  0.71619000  0.65405100  0.30339900  1
  O  O57  1  0.58473400  0.39975500  0.18043300  1
  O  O58  1  0.69296300  0.47087100  0.39464600  1
  O  O59  1  0.57310800  0.22498000  0.26772900  1
  O  O60  1  0.04077800  0.29693600  0.23199100  1
  O  O61  1  0.64802400  0.86822900  0.19653500  1
  O  O62  1  0.14443000  0.94027100  0.16069100  1
  O  O63  1  0.01543200  0.68555500  0.03630700  1
  O  O64  1  0.12145900  0.75673800  0.25180800  1
  O  O65  1  0.00061500  0.51437600  0.12518700  1
  O  O66  1  0.46796700  0.58529100  0.08951100  1
  O  O67  1  0.07464000  0.15548200  0.05418600  1
  O  O68  1  0.56786700  0.23212300  0.01823400  1
  O  O69  1  0.54937300  0.04372000  0.10900400  1
