# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23959600
_cell_length_b   5.58410687
_cell_length_c   25.95779793
_cell_angle_alpha   93.00711374
_cell_angle_beta   90.00677852
_cell_angle_gamma   117.91965647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li12 Nb12 O36'
_cell_volume   669.89875396
_cell_formula_units_Z   12
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  0.70655800  0.41145600  0.03820900  1
  Li  Li1  1  0.27531000  0.55084300  0.21611500  1
  Li  Li2  1  0.04129000  0.08249900  0.11994000  1
  Li  Li3  1  0.94126000  0.88347200  0.38186600  1
  Li  Li4  1  0.60860000  0.21601200  0.29869400  1
  Li  Li5  1  0.60784000  0.21673800  0.54875000  1
  Li  Li6  1  0.27556100  0.55003200  0.46541800  1
  Li  Li7  1  0.27444500  0.54991200  0.71537700  1
  Li  Li8  1  0.94221700  0.88339600  0.63209100  1
  Li  Li9  1  0.94159700  0.88310000  0.88210500  1
  Li  Li10  1  0.60851700  0.21646400  0.79857400  1
  Li  Li11  1  0.27789300  0.55692900  0.96542700  1
  Nb  Nb12  1  0.98172400  0.97194800  0.00272800  1
  Nb  Nb13  1  0.64844900  0.30120100  0.16992100  1
  Nb  Nb14  1  0.32862700  0.64902800  0.08775300  1
  Nb  Nb15  1  0.31149200  0.62170800  0.33588200  1
  Nb  Nb16  1  0.97719200  0.95583700  0.25211200  1
  Nb  Nb17  1  0.97721400  0.95383200  0.50268500  1
  Nb  Nb18  1  0.64341300  0.28744200  0.41930400  1
  Nb  Nb19  1  0.64380700  0.28722900  0.66935300  1
  Nb  Nb20  1  0.30982800  0.62055900  0.58605200  1
  Nb  Nb21  1  0.31177800  0.62257200  0.83569400  1
  Nb  Nb22  1  0.97674500  0.95436100  0.75261700  1
  Nb  Nb23  1  0.64638500  0.29226000  0.91855800  1
  O  O24  1  0.62633000  0.00178500  0.12405900  1
  O  O25  1  0.58392800  0.78104300  0.02062300  1
  O  O26  1  0.11787500  0.86954300  0.06236900  1
  O  O27  1  0.53276000  0.45116900  0.10439400  1
  O  O28  1  0.08107300  0.52826600  0.14550200  1
  O  O29  1  0.29301900  0.33775600  0.28972900  1
  O  O30  1  0.04958900  0.33946900  0.04054800  1
  O  O31  1  0.25002500  0.13872400  0.18780200  1
  O  O32  1  0.80149300  0.21618700  0.22902400  1
  O  O33  1  0.21923200  0.80227700  0.27095400  1
  O  O34  1  0.74772300  0.88502500  0.31218100  1
  O  O35  1  0.96031600  0.67079100  0.45648200  1
  O  O36  1  0.70593900  0.66355000  0.20787400  1
  O  O37  1  0.91589800  0.46811100  0.35462400  1
  O  O38  1  0.47068600  0.55116400  0.39590300  1
  O  O39  1  0.88595300  0.13424900  0.43800500  1
  O  O40  1  0.41380200  0.21762800  0.47934900  1
  O  O41  1  0.62715300  0.00430100  0.62315500  1
  O  O42  1  0.37762800  0.00458700  0.37304300  1
  O  O43  1  0.58182000  0.80107100  0.52137200  1
  O  O44  1  0.13735200  0.88440200  0.56277800  1
  O  O45  1  0.55271400  0.46759200  0.60470400  1
  O  O46  1  0.08030700  0.55097400  0.64609700  1
  O  O47  1  0.29352900  0.33789600  0.78972100  1
  O  O48  1  0.04395000  0.33775800  0.53982800  1
  O  O49  1  0.24838200  0.13436200  0.68798000  1
  O  O50  1  0.80389000  0.21770300  0.72941000  1
  O  O51  1  0.21957400  0.80114800  0.77106800  1
  O  O52  1  0.74703100  0.88464800  0.81261700  1
  O  O53  1  0.95860600  0.67124000  0.95789600  1
  O  O54  1  0.71056000  0.67115900  0.70646100  1
  O  O55  1  0.91537700  0.47042600  0.85424400  1
  O  O56  1  0.47150400  0.55298600  0.89559200  1
  O  O57  1  0.88763200  0.13553900  0.93694700  1
  O  O58  1  0.41872100  0.22421100  0.97861700  1
  O  O59  1  0.37728600  0.00522800  0.87302200  1
