# generated using pymatgen
data_LiFe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07578000
_cell_length_b   9.24197300
_cell_length_c   13.77898494
_cell_angle_alpha   89.68146774
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(SO4)2
_chemical_formula_sum   'Li8 Fe8 S16 O64'
_cell_volume   1155.73740465
_cell_formula_units_Z   8
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  0.04306700  0.94555800  0.37833700  1
  Li  Li1  1  0.95693300  0.94555800  0.87833700  1
  Li  Li2  1  0.53650300  0.55606500  0.37199400  1
  Li  Li3  1  0.46349700  0.55606500  0.87199400  1
  Li  Li4  1  0.80249800  0.23094300  0.12664100  1
  Li  Li5  1  0.19750200  0.23094300  0.62664100  1
  Li  Li6  1  0.47807000  0.04162500  0.62641400  1
  Li  Li7  1  0.52193000  0.04162500  0.12641400  1
  Fe  Fe8  1  0.14768800  0.85294500  0.12501800  1
  Fe  Fe9  1  0.85231200  0.85294500  0.62501800  1
  Fe  Fe10  1  0.64616800  0.64023300  0.12524000  1
  Fe  Fe11  1  0.35383200  0.64023300  0.62524000  1
  Fe  Fe12  1  0.14351300  0.36430000  0.37264800  1
  Fe  Fe13  1  0.85648700  0.36430000  0.87264800  1
  Fe  Fe14  1  0.64627100  0.13979100  0.37570000  1
  Fe  Fe15  1  0.35372900  0.13979100  0.87570000  1
  S  S16  1  0.18562600  0.92422500  0.72527300  1
  S  S17  1  0.81437400  0.92422500  0.22527300  1
  S  S18  1  0.56485200  0.83815600  0.48872000  1
  S  S19  1  0.43514800  0.83815600  0.98872000  1
  S  S20  1  0.06563200  0.65918100  0.49037200  1
  S  S21  1  0.93436800  0.65918100  0.99037200  1
  S  S22  1  0.31647200  0.57420500  0.22125600  1
  S  S23  1  0.68352800  0.57420500  0.72125600  1
  S  S24  1  0.81438500  0.42608400  0.27720600  1
  S  S25  1  0.18561500  0.42608400  0.77720600  1
  S  S26  1  0.56393900  0.33796900  0.01096500  1
  S  S27  1  0.43606100  0.33796900  0.51096500  1
  S  S28  1  0.06485600  0.15875100  0.00938500  1
  S  S29  1  0.93514400  0.15875100  0.50938500  1
  S  S30  1  0.68638700  0.07759300  0.77672500  1
  S  S31  1  0.31361300  0.07759300  0.27672500  1
  O  O32  1  0.54974600  0.99941800  0.47311600  1
  O  O33  1  0.45025400  0.99941800  0.97311600  1
  O  O34  1  0.25380400  0.98427400  0.35199100  1
  O  O35  1  0.74619600  0.98427400  0.85199100  1
  O  O36  1  0.77927900  0.98020300  0.32523200  1
  O  O37  1  0.22072100  0.98020300  0.82523200  1
  O  O38  1  0.02017100  0.92035400  0.72209800  1
  O  O39  1  0.97982900  0.92035400  0.22209800  1
  O  O40  1  0.52508300  0.81293100  0.07989500  1
  O  O41  1  0.47491700  0.81293100  0.57989500  1
  O  O42  1  0.27951100  0.80262800  0.01286400  1
  O  O43  1  0.72048900  0.80262800  0.51286400  1
  O  O44  1  0.24626800  0.77604800  0.71775300  1
  O  O45  1  0.75373200  0.77604800  0.21775300  1
  O  O46  1  0.51515100  0.75649100  0.40647800  1
  O  O47  1  0.48484900  0.75649100  0.90647800  1
  O  O48  1  0.02150200  0.74527000  0.40702900  1
  O  O49  1  0.97849800  0.74527000  0.90702900  1
  O  O50  1  0.25723700  0.72635100  0.21726400  1
  O  O51  1  0.74276300  0.72635100  0.71726400  1
  O  O52  1  0.22253100  0.69387200  0.51636600  1
  O  O53  1  0.77746900  0.69387200  0.01636600  1
  O  O54  1  0.02457400  0.69055000  0.07914600  1
  O  O55  1  0.97542600  0.69055000  0.57914600  1
  O  O56  1  0.48495600  0.58624000  0.22285000  1
  O  O57  1  0.51504400  0.58624000  0.72285000  1
  O  O58  1  0.71560200  0.51887100  0.82348900  1
  O  O59  1  0.28439800  0.51887100  0.32348900  1
  O  O60  1  0.74798100  0.51289000  0.35194100  1
  O  O61  1  0.25201900  0.51289000  0.85194100  1
  O  O62  1  0.05279300  0.50135600  0.47077300  1
  O  O63  1  0.94720700  0.50135600  0.97077300  1
  O  O64  1  0.54769400  0.49695000  0.02615200  1
  O  O65  1  0.45230600  0.49695000  0.52615200  1
  O  O66  1  0.73815400  0.48320800  0.64590000  1
  O  O67  1  0.26184600  0.48320800  0.14590000  1
  O  O68  1  0.77620100  0.47714300  0.17569200  1
  O  O69  1  0.22379900  0.47714300  0.67569200  1
  O  O70  1  0.97802800  0.42085200  0.28139400  1
  O  O71  1  0.02197200  0.42085200  0.78139400  1
  O  O72  1  0.52348700  0.30862200  0.42053700  1
  O  O73  1  0.47651300  0.30862200  0.92053700  1
  O  O74  1  0.72261300  0.30226300  0.98934200  1
  O  O75  1  0.27738700  0.30226300  0.48934200  1
  O  O76  1  0.75746200  0.27077900  0.27837200  1
  O  O77  1  0.24253800  0.27077900  0.77837200  1
  O  O78  1  0.52052200  0.25198000  0.09487200  1
  O  O79  1  0.47947800  0.25198000  0.59487200  1
  O  O80  1  0.01110400  0.23625400  0.09306100  1
  O  O81  1  0.98889600  0.23625400  0.59306100  1
  O  O82  1  0.74375900  0.22808600  0.78305200  1
  O  O83  1  0.25624100  0.22808600  0.28305200  1
  O  O84  1  0.77978700  0.19843700  0.48595400  1
  O  O85  1  0.22021300  0.19843700  0.98595400  1
  O  O86  1  0.02566400  0.18762900  0.41882400  1
  O  O87  1  0.97433600  0.18762900  0.91882400  1
  O  O88  1  0.51872400  0.08311400  0.77868300  1
  O  O89  1  0.48127600  0.08311400  0.27868300  1
  O  O90  1  0.71809600  0.02095500  0.67590000  1
  O  O91  1  0.28190400  0.02095500  0.17590000  1
  O  O92  1  0.24776000  0.02040800  0.65019500  1
  O  O93  1  0.75224000  0.02040800  0.15019500  1
  O  O94  1  0.05367000  0.99705300  0.02297400  1
  O  O95  1  0.94633000  0.99705300  0.52297400  1
