# generated using pymatgen
data_LiCa2Nb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54247200
_cell_length_b   5.54267500
_cell_length_c   27.39909437
_cell_angle_alpha   89.50746188
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2Nb3O10
_chemical_formula_sum   'Li4 Ca8 Nb12 O40'
_cell_volume   841.67239401
_cell_formula_units_Z   4
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  0.75901200  0.74796200  0.74122600  1
  Li  Li1  1  0.74098800  0.74796200  0.24122600  1
  Li  Li2  1  0.25901200  0.25203800  0.75877400  1
  Li  Li3  1  0.24098800  0.25203800  0.25877400  1
  Ca  Ca4  1  0.99011800  0.99026700  0.58374900  1
  Ca  Ca5  1  0.50988200  0.99026700  0.08374900  1
  Ca  Ca6  1  0.51655400  0.51669400  0.58004700  1
  Ca  Ca7  1  0.01655400  0.48330600  0.91995300  1
  Ca  Ca8  1  0.98344600  0.51669400  0.08004700  1
  Ca  Ca9  1  0.48344600  0.48330600  0.41995300  1
  Ca  Ca10  1  0.49011800  0.00973300  0.91625100  1
  Ca  Ca11  1  0.00988200  0.00973300  0.41625100  1
  Nb  Nb12  1  0.99829600  0.99406500  0.84339900  1
  Nb  Nb13  1  0.50000000  0.00000000  0.50000000  1
  Nb  Nb14  1  0.50170400  0.99406500  0.34339900  1
  Nb  Nb15  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb16  1  0.51056000  0.50639600  0.84344000  1
  Nb  Nb17  1  0.98944000  0.50639600  0.34344000  1
  Nb  Nb18  1  0.00000000  0.50000000  0.50000000  1
  Nb  Nb19  1  0.01056000  0.49360400  0.65656000  1
  Nb  Nb20  1  0.50000000  0.50000000  0.00000000  1
  Nb  Nb21  1  0.48944000  0.49360400  0.15656000  1
  Nb  Nb22  1  0.49829600  0.00593500  0.65660100  1
  Nb  Nb23  1  0.00170400  0.00593500  0.15660100  1
  O  O24  1  0.96559200  0.96224800  0.77867900  1
  O  O25  1  0.53440800  0.96224800  0.27867900  1
  O  O26  1  0.56623200  0.94923800  0.56987400  1
  O  O27  1  0.93376800  0.94923800  0.06987400  1
  O  O28  1  0.68957300  0.81264400  0.98289200  1
  O  O29  1  0.81042700  0.81264400  0.48289200  1
  O  O30  1  0.25528500  0.75418800  0.63786200  1
  O  O31  1  0.25548200  0.74954500  0.86209300  1
  O  O32  1  0.75544100  0.75307800  0.65837800  1
  O  O33  1  0.75618600  0.74780500  0.86924000  1
  O  O34  1  0.24471500  0.75418800  0.13786200  1
  O  O35  1  0.24451800  0.74954500  0.36209300  1
  O  O36  1  0.74455900  0.75307800  0.15837800  1
  O  O37  1  0.74381400  0.74780500  0.36924000  1
  O  O38  1  0.18251100  0.68423400  0.99985500  1
  O  O39  1  0.31748900  0.68423400  0.49985500  1
  O  O40  1  0.94964600  0.56630300  0.56984000  1
  O  O41  1  0.55035400  0.56630300  0.06984000  1
  O  O42  1  0.54295700  0.54044600  0.77863200  1
  O  O43  1  0.95704300  0.54044600  0.27863200  1
  O  O44  1  0.04295700  0.45955400  0.72136800  1
  O  O45  1  0.45704300  0.45955400  0.22136800  1
  O  O46  1  0.44964600  0.43369700  0.93016000  1
  O  O47  1  0.05035400  0.43369700  0.43016000  1
  O  O48  1  0.68251100  0.31576600  0.50014500  1
  O  O49  1  0.81748900  0.31576600  0.00014500  1
  O  O50  1  0.25618600  0.25219500  0.63076000  1
  O  O51  1  0.25544100  0.24692200  0.84162200  1
  O  O52  1  0.75548200  0.25045500  0.63790700  1
  O  O53  1  0.75528500  0.24581200  0.86213800  1
  O  O54  1  0.24381400  0.25219500  0.13076000  1
  O  O55  1  0.24455900  0.24692200  0.34162200  1
  O  O56  1  0.74451800  0.25045500  0.13790700  1
  O  O57  1  0.74471500  0.24581200  0.36213800  1
  O  O58  1  0.18957300  0.18735600  0.51710800  1
  O  O59  1  0.31042700  0.18735600  0.01710800  1
  O  O60  1  0.06623200  0.05076200  0.93012600  1
  O  O61  1  0.43376800  0.05076200  0.43012600  1
  O  O62  1  0.46559200  0.03775200  0.72132100  1
  O  O63  1  0.03440800  0.03775200  0.22132100  1
