# generated using pymatgen
data_Li17Fe4(CO3)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.27709176
_cell_length_b   9.72902787
_cell_length_c   8.50766122
_cell_angle_alpha   89.40521785
_cell_angle_beta   91.30234117
_cell_angle_gamma   89.83822599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li17Fe4(CO3)16
_chemical_formula_sum   'Li17 Fe4 C16 O48'
_cell_volume   933.12347232
_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  0.07296900  0.62956800  0.56243300  1
  Li  Li1  1  0.15529900  0.14041400  0.55592800  1
  Li  Li2  1  0.15072300  0.35460500  0.04237700  1
  Li  Li3  1  0.23359000  0.89627000  0.69977900  1
  Li  Li4  1  0.22032700  0.60841900  0.19717900  1
  Li  Li5  1  0.32274100  0.65745900  0.53571800  1
  Li  Li6  1  0.31645200  0.83961200  0.04316800  1
  Li  Li7  1  0.42257200  0.41358100  0.08463200  1
  Li  Li8  1  0.57756600  0.90663600  0.41270600  1
  Li  Li9  1  0.67948000  0.16067600  0.95960400  1
  Li  Li10  1  0.66974800  0.34007800  0.46473700  1
  Li  Li11  1  0.77149300  0.39850800  0.80381400  1
  Li  Li12  1  0.77695900  0.10481300  0.29623000  1
  Li  Li13  1  0.84567500  0.64615700  0.95104900  1
  Li  Li14  1  0.85127900  0.85797200  0.44760700  1
  Li  Li15  1  0.94186700  0.12736800  0.94214900  1
  Li  Li16  1  0.92430200  0.36621700  0.45188600  1
  Fe  Fe17  1  0.29680300  0.38642300  0.71121400  1
  Fe  Fe18  1  0.29743900  0.10533500  0.21906500  1
  Fe  Fe19  1  0.70236800  0.89224400  0.78276500  1
  Fe  Fe20  1  0.70524400  0.60387100  0.27899200  1
  C  C21  1  0.03437200  0.37163800  0.74232100  1
  C  C22  1  0.03013700  0.13116600  0.25257500  1
  C  C23  1  0.21159800  0.63318000  0.86052300  1
  C  C24  1  0.20391500  0.86309100  0.37337000  1
  C  C25  1  0.28521900  0.13116900  0.87838900  1
  C  C26  1  0.28246000  0.36575100  0.36887500  1
  C  C27  1  0.49308000  0.85433500  0.70145700  1
  C  C28  1  0.49038100  0.64715300  0.21745000  1
  C  C29  1  0.50792200  0.35545800  0.79243200  1
  C  C30  1  0.51116000  0.15201000  0.28239500  1
  C  C31  1  0.71801700  0.63490500  0.62182200  1
  C  C32  1  0.71534400  0.86840900  0.12709800  1
  C  C33  1  0.79257400  0.13586100  0.63152000  1
  C  C34  1  0.79298100  0.36558500  0.13466800  1
  C  C35  1  0.96489300  0.88097000  0.75211400  1
  C  C36  1  0.96660100  0.61337400  0.26254700  1
  O  O37  1  0.99380700  0.81022100  0.63106800  1
  O  O38  1  0.99092400  0.65424700  0.12521100  1
  O  O39  1  0.01552300  0.99201000  0.78844900  1
  O  O40  1  0.02529000  0.51717000  0.33408100  1
  O  O41  1  0.12451500  0.32283200  0.66365800  1
  O  O42  1  0.11742700  0.16593400  0.16013400  1
  O  O43  1  0.21408200  0.76307600  0.87768200  1
  O  O44  1  0.19471500  0.73146300  0.39376600  1
  O  O45  1  0.19378200  0.54693400  0.97115800  1
  O  O46  1  0.18093100  0.94861900  0.48127100  1
  O  O47  1  0.22840400  0.58307100  0.71627600  1
  O  O48  1  0.23928100  0.91016000  0.23719700  1
  O  O49  1  0.26682100  0.08713900  0.74125400  1
  O  O50  1  0.27953200  0.26310700  0.90956900  1
  O  O51  1  0.26757400  0.41081300  0.22825300  1
  O  O52  1  0.27539500  0.23499200  0.40345500  1
  O  O53  1  0.31206600  0.04703800  0.99523600  1
  O  O54  1  0.30586200  0.45134900  0.48236900  1
  O  O55  1  0.39624500  0.81685200  0.63722700  1
  O  O56  1  0.39014300  0.67521700  0.15623600  1
  O  O57  1  0.44090900  0.45274900  0.85042900  1
  O  O58  1  0.45705200  0.03578500  0.31517400  1
  O  O59  1  0.46045400  0.29604700  0.66990500  1
  O  O60  1  0.45095000  0.23010000  0.18340000  1
  O  O61  1  0.54189100  0.79451600  0.82420100  1
  O  O62  1  0.54905800  0.72643000  0.31415700  1
  O  O63  1  0.55732000  0.95575800  0.64436700  1
  O  O64  1  0.54726200  0.53139500  0.18785400  1
  O  O65  1  0.60687700  0.32033600  0.85370900  1
  O  O66  1  0.61081400  0.18311400  0.34236100  1
  O  O67  1  0.69140500  0.54910500  0.50807400  1
  O  O68  1  0.69349900  0.95489700  0.01166000  1
  O  O69  1  0.72079100  0.76688700  0.58730900  1
  O  O70  1  0.73950400  0.59140400  0.75952800  1
  O  O71  1  0.72500800  0.73831900  0.09429900  1
  O  O72  1  0.72638300  0.91209100  0.26772500  1
  O  O73  1  0.76734100  0.09059800  0.77493300  1
  O  O74  1  0.77663900  0.40603800  0.28234000  1
  O  O75  1  0.80810200  0.04826600  0.52404400  1
  O  O76  1  0.80018600  0.45816800  0.02919800  1
  O  O77  1  0.79997900  0.26727100  0.60922400  1
  O  O78  1  0.80000900  0.23592900  0.10704100  1
  O  O79  1  0.87715000  0.83284200  0.83614200  1
  O  O80  1  0.87911200  0.67196000  0.33840000  1
  O  O81  1  0.97677000  0.47302300  0.68043800  1
  O  O82  1  0.95948000  0.03696300  0.20915800  1
  O  O83  1  0.00666400  0.31577300  0.87326700  1
  O  O84  1  0.01638900  0.19530400  0.38219900  1
