# generated using pymatgen
data_Li17Fe4(CO3)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50766100
_cell_length_b   9.72902821
_cell_length_c   11.27709186
_cell_angle_alpha   90.16177296
_cell_angle_beta   91.30233700
_cell_angle_gamma   90.59478026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li17Fe4(CO3)16
_chemical_formula_sum   'Li17 Fe4 C16 O48'
_cell_volume   933.12349043
_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  0.56243300  0.37043200  0.07296900  1
  Li  Li1  1  0.55592800  0.85958600  0.15529900  1
  Li  Li2  1  0.04237700  0.64539500  0.15072300  1
  Li  Li3  1  0.69977900  0.10373000  0.23359000  1
  Li  Li4  1  0.19717900  0.39158100  0.22032700  1
  Li  Li5  1  0.53571800  0.34254100  0.32274100  1
  Li  Li6  1  0.04316800  0.16038800  0.31645200  1
  Li  Li7  1  0.08463200  0.58641900  0.42257200  1
  Li  Li8  1  0.41270600  0.09336400  0.57756600  1
  Li  Li9  1  0.95960400  0.83932400  0.67948000  1
  Li  Li10  1  0.46473700  0.65992200  0.66974800  1
  Li  Li11  1  0.80381400  0.60149200  0.77149300  1
  Li  Li12  1  0.29623000  0.89518700  0.77695900  1
  Li  Li13  1  0.95104900  0.35384300  0.84567500  1
  Li  Li14  1  0.44760700  0.14202800  0.85127900  1
  Li  Li15  1  0.94214900  0.87263200  0.94186700  1
  Li  Li16  1  0.45188600  0.63378300  0.92430200  1
  Fe  Fe17  1  0.71121400  0.61357700  0.29680300  1
  Fe  Fe18  1  0.21906500  0.89466500  0.29743900  1
  Fe  Fe19  1  0.78276500  0.10775600  0.70236800  1
  Fe  Fe20  1  0.27899200  0.39612900  0.70524400  1
  C  C21  1  0.74232100  0.62836200  0.03437200  1
  C  C22  1  0.25257500  0.86883400  0.03013700  1
  C  C23  1  0.86052300  0.36682000  0.21159800  1
  C  C24  1  0.37337000  0.13690900  0.20391500  1
  C  C25  1  0.87838900  0.86883100  0.28521900  1
  C  C26  1  0.36887500  0.63424900  0.28246000  1
  C  C27  1  0.70145700  0.14566500  0.49308000  1
  C  C28  1  0.21745000  0.35284700  0.49038100  1
  C  C29  1  0.79243200  0.64454200  0.50792200  1
  C  C30  1  0.28239500  0.84799000  0.51116000  1
  C  C31  1  0.62182200  0.36509500  0.71801700  1
  C  C32  1  0.12709800  0.13159100  0.71534400  1
  C  C33  1  0.63152000  0.86413900  0.79257400  1
  C  C34  1  0.13466800  0.63441500  0.79298100  1
  C  C35  1  0.75211400  0.11903000  0.96489300  1
  C  C36  1  0.26254700  0.38662600  0.96660100  1
  O  O37  1  0.63106800  0.18977900  0.99380700  1
  O  O38  1  0.12521100  0.34575300  0.99092400  1
  O  O39  1  0.78844900  0.00799000  0.01552300  1
  O  O40  1  0.33408100  0.48283000  0.02529000  1
  O  O41  1  0.66365800  0.67716800  0.12451500  1
  O  O42  1  0.16013400  0.83406600  0.11742700  1
  O  O43  1  0.87768200  0.23692400  0.21408200  1
  O  O44  1  0.39376600  0.26853700  0.19471500  1
  O  O45  1  0.97115800  0.45306600  0.19378200  1
  O  O46  1  0.48127100  0.05138100  0.18093100  1
  O  O47  1  0.71627600  0.41692900  0.22840400  1
  O  O48  1  0.23719700  0.08984000  0.23928100  1
  O  O49  1  0.74125400  0.91286100  0.26682100  1
  O  O50  1  0.90956900  0.73689300  0.27953200  1
  O  O51  1  0.22825300  0.58918700  0.26757400  1
  O  O52  1  0.40345500  0.76500800  0.27539500  1
  O  O53  1  0.99523600  0.95296200  0.31206600  1
  O  O54  1  0.48236900  0.54865100  0.30586200  1
  O  O55  1  0.63722700  0.18314800  0.39624500  1
  O  O56  1  0.15623600  0.32478300  0.39014300  1
  O  O57  1  0.85042900  0.54725100  0.44090900  1
  O  O58  1  0.31517400  0.96421500  0.45705200  1
  O  O59  1  0.66990500  0.70395300  0.46045400  1
  O  O60  1  0.18340000  0.76990000  0.45095000  1
  O  O61  1  0.82420100  0.20548400  0.54189100  1
  O  O62  1  0.31415700  0.27357000  0.54905800  1
  O  O63  1  0.64436700  0.04424200  0.55732000  1
  O  O64  1  0.18785400  0.46860500  0.54726200  1
  O  O65  1  0.85370900  0.67966400  0.60687700  1
  O  O66  1  0.34236100  0.81688600  0.61081400  1
  O  O67  1  0.50807400  0.45089500  0.69140500  1
  O  O68  1  0.01166000  0.04510300  0.69349900  1
  O  O69  1  0.58730900  0.23311300  0.72079100  1
  O  O70  1  0.75952800  0.40859600  0.73950400  1
  O  O71  1  0.09429900  0.26168100  0.72500800  1
  O  O72  1  0.26772500  0.08790900  0.72638300  1
  O  O73  1  0.77493300  0.90940200  0.76734100  1
  O  O74  1  0.28234000  0.59396200  0.77663900  1
  O  O75  1  0.52404400  0.95173400  0.80810200  1
  O  O76  1  0.02919800  0.54183200  0.80018600  1
  O  O77  1  0.60922400  0.73272900  0.79997900  1
  O  O78  1  0.10704100  0.76407100  0.80000900  1
  O  O79  1  0.83614200  0.16715800  0.87715000  1
  O  O80  1  0.33840000  0.32804000  0.87911200  1
  O  O81  1  0.68043800  0.52697700  0.97677000  1
  O  O82  1  0.20915800  0.96303700  0.95948000  1
  O  O83  1  0.87326700  0.68422700  0.00666400  1
  O  O84  1  0.38219900  0.80469600  0.01638900  1
