# generated using pymatgen
data_Li3SiNiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01652879
_cell_length_b   5.76481707
_cell_length_c   12.16436246
_cell_angle_alpha   86.06226507
_cell_angle_beta   81.52807200
_cell_angle_gamma   108.10953688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3SiNiO5
_chemical_formula_sum   'Li12 Si4 Ni4 O20'
_cell_volume   328.25052962
_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  0.99999600  0.90000400  0.39999900  1
  Li  Li1  1  0.49999500  0.40000300  0.89999900  1
  Li  Li2  1  0.99999300  0.39999600  0.39999900  1
  Li  Li3  1  0.49999300  0.89999700  0.90000000  1
  Li  Li4  1  0.49501800  0.29888800  0.30030100  1
  Li  Li5  1  0.99501500  0.79888300  0.80029700  1
  Li  Li6  1  0.50496200  0.50111400  0.49969800  1
  Li  Li7  1  0.00496500  0.00112000  0.99970200  1
  Li  Li8  1  0.49644300  0.09789400  0.09762400  1
  Li  Li9  1  0.99645000  0.59789500  0.59761500  1
  Li  Li10  1  0.00355000  0.20211000  0.20238400  1
  Li  Li11  1  0.50355600  0.70211100  0.70237600  1
  Si  Si12  1  0.50035100  0.80156000  0.30106300  1
  Si  Si13  1  0.00036100  0.30156100  0.80105400  1
  Si  Si14  1  0.49967200  0.99843600  0.49893600  1
  Si  Si15  1  0.99966300  0.49843300  0.99894500  1
  Ni  Ni16  1  0.99988100  0.09869300  0.60042800  1
  Ni  Ni17  1  0.00011200  0.70128700  0.19957100  1
  Ni  Ni18  1  0.49988200  0.59870700  0.10043500  1
  Ni  Ni19  1  0.50010800  0.20127600  0.69956400  1
  O  O20  1  0.77931600  0.41707800  0.13680200  1
  O  O21  1  0.27932800  0.91708900  0.63679600  1
  O  O22  1  0.72067300  0.88291200  0.16320500  1
  O  O23  1  0.22068400  0.38292300  0.66319800  1
  O  O24  1  0.29742700  0.72483600  0.44316900  1
  O  O25  1  0.79743200  0.22484100  0.94316400  1
  O  O26  1  0.70255100  0.07516000  0.35683800  1
  O  O27  1  0.20254500  0.57515500  0.85684100  1
  O  O28  1  0.26695400  0.16968600  0.46335600  1
  O  O29  1  0.76695300  0.66967400  0.96336400  1
  O  O30  1  0.73306000  0.63034000  0.33664800  1
  O  O31  1  0.23306200  0.13035100  0.83663800  1
  O  O32  1  0.27580100  0.52814900  0.25198800  1
  O  O33  1  0.77579500  0.02812600  0.75199000  1
  O  O34  1  0.22422000  0.77186400  0.04801200  1
  O  O35  1  0.72421400  0.27184200  0.54801300  1
  O  O36  1  0.26875500  0.96390800  0.25345300  1
  O  O37  1  0.76875800  0.46388600  0.75345200  1
  O  O38  1  0.23125100  0.33611900  0.04654100  1
  O  O39  1  0.73125300  0.83609600  0.54654000  1
