# generated using pymatgen
data_Li8Sc5Fe3(SiO3)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95037900
_cell_length_b   9.90140800
_cell_length_c   10.78614286
_cell_angle_alpha   69.63972866
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li8Sc5Fe3(SiO3)16
_chemical_formula_sum   'Li8 Sc5 Fe3 Si16 O48'
_cell_volume   896.16235281
_cell_formula_units_Z   1
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  0.25481800  0.99953000  0.74877300  1
  Li  Li1  1  0.74679000  0.00000000  0.50000000  1
  Li  Li2  1  0.25481800  0.00047000  0.25122700  1
  Li  Li3  1  0.74487400  0.00000000  0.00000000  1
  Li  Li4  1  0.75365400  0.50011200  0.74996000  1
  Li  Li5  1  0.24735500  0.50000000  0.50000000  1
  Li  Li6  1  0.75365400  0.49988800  0.25004000  1
  Li  Li7  1  0.24728200  0.50000000  0.00000000  1
  Sc  Sc8  1  0.89605000  0.00025600  0.74803900  1
  Sc  Sc9  1  0.89605000  0.99974400  0.25196100  1
  Sc  Sc10  1  0.10512300  0.00000000  0.00000000  1
  Sc  Sc11  1  0.39757200  0.50028600  0.74973700  1
  Sc  Sc12  1  0.39757200  0.49971400  0.25026300  1
  Fe  Fe13  1  0.10835300  0.00000000  0.50000000  1
  Fe  Fe14  1  0.60804700  0.50000000  0.50000000  1
  Fe  Fe15  1  0.60694200  0.50000000  0.00000000  1
  Si  Si16  1  0.58812800  0.79658400  0.73947300  1
  Si  Si17  1  0.08740100  0.70318000  0.75992400  1
  Si  Si18  1  0.41130800  0.79790100  0.48836200  1
  Si  Si19  1  0.91112600  0.70157100  0.51209700  1
  Si  Si20  1  0.58758800  0.79677600  0.24011900  1
  Si  Si21  1  0.08663400  0.70173200  0.26186000  1
  Si  Si22  1  0.41358900  0.79632200  0.98777000  1
  Si  Si23  1  0.91028400  0.70111000  0.01138100  1
  Si  Si24  1  0.08663400  0.29826800  0.73814000  1
  Si  Si25  1  0.58758800  0.20322400  0.75988100  1
  Si  Si26  1  0.91112600  0.29842900  0.48790300  1
  Si  Si27  1  0.41130800  0.20209900  0.51163800  1
  Si  Si28  1  0.08740100  0.29682000  0.24007600  1
  Si  Si29  1  0.58812800  0.20341600  0.26052700  1
  Si  Si30  1  0.91028400  0.29889000  0.98861900  1
  Si  Si31  1  0.41358900  0.20367800  0.01223000  1
  O  O32  1  0.50464300  0.85586000  0.84654500  1
  O  O33  1  0.08708200  0.88171300  0.69802400  1
  O  O34  1  0.75143800  0.86861000  0.70436400  1
  O  O35  1  0.49570200  0.85232000  0.59836600  1
  O  O36  1  0.91537800  0.87959800  0.45587600  1
  O  O37  1  0.24689900  0.87171500  0.45669000  1
  O  O38  1  0.50146200  0.85608300  0.34635700  1
  O  O39  1  0.08622400  0.87960000  0.20386800  1
  O  O40  1  0.75119700  0.86874500  0.20607600  1
  O  O41  1  0.25140000  0.63097500  0.79407800  1
  O  O42  1  0.58743100  0.61812100  0.80145100  1
  O  O43  1  0.00156200  0.64368700  0.65385200  1
  O  O44  1  0.49632100  0.85158200  0.09830200  1
  O  O45  1  0.91194100  0.87884100  0.95354500  1
  O  O46  1  0.24932600  0.86801000  0.95499900  1
  O  O47  1  0.74610600  0.62824400  0.54391200  1
  O  O48  1  0.41569100  0.61975000  0.54478800  1
  O  O49  1  0.99500200  0.64521100  0.40313900  1
  O  O50  1  0.25109900  0.63030700  0.29451000  1
  O  O51  1  0.58728100  0.61808600  0.30208600  1
  O  O52  1  0.00151100  0.64512400  0.15313500  1
  O  O53  1  0.00151100  0.35487600  0.84686500  1
  O  O54  1  0.74608100  0.62692900  0.04441400  1
  O  O55  1  0.58728100  0.38191400  0.69791400  1
  O  O56  1  0.41791800  0.61817400  0.04500200  1
  O  O57  1  0.25109900  0.36969300  0.70549000  1
  O  O58  1  0.99577300  0.64710300  0.90158400  1
  O  O59  1  0.99500200  0.35478900  0.59686100  1
  O  O60  1  0.41569100  0.38025000  0.45521200  1
  O  O61  1  0.74610600  0.37175600  0.45608800  1
  O  O62  1  0.00156200  0.35631300  0.34614800  1
  O  O63  1  0.58743100  0.38187900  0.19854900  1
  O  O64  1  0.25140000  0.36902500  0.20592200  1
  O  O65  1  0.75119700  0.13125500  0.79392400  1
  O  O66  1  0.08622400  0.12040000  0.79613200  1
  O  O67  1  0.50146200  0.14391700  0.65364300  1
  O  O68  1  0.99577300  0.35289700  0.09841600  1
  O  O69  1  0.41791800  0.38182600  0.95499800  1
  O  O70  1  0.74608100  0.37307100  0.95558600  1
  O  O71  1  0.24689900  0.12828500  0.54331000  1
  O  O72  1  0.91537800  0.12040200  0.54412400  1
  O  O73  1  0.49570200  0.14768000  0.40163400  1
  O  O74  1  0.75143800  0.13139000  0.29563600  1
  O  O75  1  0.08708200  0.11828700  0.30197600  1
  O  O76  1  0.50464300  0.14414000  0.15345500  1
  O  O77  1  0.24932600  0.13199000  0.04500100  1
  O  O78  1  0.91194100  0.12115900  0.04645500  1
  O  O79  1  0.49632100  0.14841800  0.90169800  1
