# generated using pymatgen
data_Li3Cr13Ni3(SO4)24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29858200
_cell_length_b   8.83909046
_cell_length_c   27.72843252
_cell_angle_alpha   84.37154743
_cell_angle_beta   81.60309631
_cell_angle_gamma   62.05935088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cr13Ni3(SO4)24
_chemical_formula_sum   'Li3 Cr13 Ni3 S24 O96'
_cell_volume   1776.55969495
_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  0.87696500  0.68713000  0.30840000  1
  Li  Li1  1  0.12755600  0.93734200  0.55936300  1
  Li  Li2  1  0.37726300  0.18716200  0.80949000  1
  Cr  Cr3  1  0.18753100  0.58564000  0.03716400  1
  Cr  Cr4  1  0.44444500  0.02077000  0.08895800  1
  Cr  Cr5  1  0.69572800  0.27073200  0.33862900  1
  Cr  Cr6  1  0.80719400  0.22990600  0.16000700  1
  Cr  Cr7  1  0.68528200  0.08719100  0.53780900  1
  Cr  Cr8  1  0.06520200  0.66501500  0.21003500  1
  Cr  Cr9  1  0.05712200  0.47804100  0.41138200  1
  Cr  Cr10  1  0.93424600  0.33742900  0.78777900  1
  Cr  Cr11  1  0.31237500  0.91617500  0.46015100  1
  Cr  Cr12  1  0.30879400  0.72681400  0.66163100  1
  Cr  Cr13  1  0.56240700  0.16774600  0.71066300  1
  Cr  Cr14  1  0.55769400  0.97542300  0.91179700  1
  Cr  Cr15  1  0.81024000  0.41707300  0.96238800  1
  Ni  Ni16  1  0.43339400  0.83887700  0.28690500  1
  Ni  Ni17  1  0.94640300  0.51726800  0.58982900  1
  Ni  Ni18  1  0.19655300  0.76762200  0.83991900  1
  S  S19  1  0.86345900  0.86403800  0.11521300  1
  S  S20  1  0.22738600  0.93692600  0.18684200  1
  S  S21  1  0.47231500  0.75840500  0.01046700  1
  S  S22  1  0.77410000  0.49203400  0.23933200  1
  S  S23  1  0.02188700  0.31487600  0.06283800  1
  S  S24  1  0.11417200  0.11501600  0.36534300  1
  S  S25  1  0.38763200  0.38610500  0.13402200  1
  S  S26  1  0.47958900  0.18535300  0.43676800  1
  S  S27  1  0.71949700  0.01257500  0.25934400  1
  S  S28  1  0.02602800  0.74071500  0.48960000  1
  S  S29  1  0.27297100  0.56561300  0.31266500  1
  S  S30  1  0.36385400  0.36257700  0.61500500  1
  S  S31  1  0.63788200  0.63444800  0.38492500  1
  S  S32  1  0.73136900  0.43441700  0.68721800  1
  S  S33  1  0.96781100  0.26112200  0.51058000  1
  S  S34  1  0.27593100  0.99079200  0.73967400  1
  S  S35  1  0.52294100  0.81395900  0.56228100  1
  S  S36  1  0.61411600  0.61185500  0.86528200  1
  S  S37  1  0.88710300  0.88358800  0.63563500  1
  S  S38  1  0.98111300  0.68367700  0.93729900  1
  S  S39  1  0.21733700  0.51139500  0.76059900  1
  S  S40  1  0.52742400  0.24131700  0.98975000  1
  S  S41  1  0.77288100  0.06373000  0.81245700  1
  S  S42  1  0.13619200  0.13422500  0.88578700  1
  O  O43  1  0.42930400  0.20698500  0.12799500  1
  O  O44  1  0.53903000  0.10624100  0.02708400  1
  O  O45  1  0.03474500  0.78671200  0.08174900  1
  O  O46  1  0.18283500  0.15412900  0.07519700  1
  O  O47  1  0.88055700  0.76712800  0.16313800  1
  O  O48  1  0.71158200  0.85968000  0.09458700  1
  O  O49  1  0.39238600  0.92040000  0.15408100  1
  O  O50  1  0.24763100  0.94633400  0.23765500  1
  O  O51  1  0.43756800  0.82541100  0.05975900  1
  O  O52  1  0.91731400  0.54461900  0.24759600  1
  O  O53  1  0.59037700  0.63757200  0.24278800  1
  O  O54  1  0.04514500  0.46739000  0.07080200  1
  O  O55  1  0.20582500  0.78267500  0.17809000  1
  O  O56  1  0.65968700  0.61039100  0.00679500  1
  O  O57  1  0.67862400  0.45601900  0.37865500  1
  O  O58  1  0.33019700  0.70887600  0.00372800  1
  O  O59  1  0.81960600  0.42200600  0.19020400  1
  O  O60  1  0.79093800  0.35510700  0.27695800  1
  O  O61  1  0.99632900  0.30648400  0.01177600  1
  O  O62  1  0.85683600  0.33071900  0.09539300  1
  O  O63  1  0.28388100  0.04010300  0.33261500  1
  O  O64  1  0.43030500  0.40296400  0.32574600  1
  O  O65  1  0.53872700  0.38992400  0.15545300  1
  O  O66  1  0.36916400  0.48353600  0.08659400  1
  O  O67  1  0.12821900  0.01899700  0.41356300  1
  O  O68  1  0.96095300  0.11062500  0.34492100  1
  O  O69  1  0.06620700  0.09632500  0.17333200  1
  O  O70  1  0.21609900  0.46221700  0.16803600  1
  O  O71  1  0.64381800  0.16984300  0.40431700  1
  O  O72  1  0.50214600  0.19400700  0.48818300  1
  O  O73  1  0.71662300  0.14507700  0.22275000  1
  O  O74  1  0.68894400  0.07567300  0.30931600  1
  O  O75  1  0.16665000  0.79750900  0.49707700  1
  O  O76  1  0.82017000  0.04326800  0.12189900  1
  O  O77  1  0.83953700  0.89146500  0.49320200  1
  O  O78  1  0.29205800  0.71579900  0.32182900  1
  O  O79  1  0.45654300  0.03267400  0.42869100  1
  O  O80  1  0.90907100  0.85693400  0.25740200  1
  O  O81  1  0.92872600  0.70833800  0.62900200  1
  O  O82  1  0.58174500  0.96117500  0.25271400  1
  O  O83  1  0.06423100  0.67815700  0.43945500  1
  O  O84  1  0.04122900  0.60695100  0.52619900  1
  O  O85  1  0.24501700  0.55597700  0.26172700  1
  O  O86  1  0.10139900  0.57864000  0.34438600  1
  O  O87  1  0.53927900  0.28619800  0.58201000  1
  O  O88  1  0.67740300  0.65532100  0.57525400  1
  O  O89  1  0.79018900  0.63800700  0.40639800  1
  O  O90  1  0.62687900  0.73015900  0.33720100  1
  O  O91  1  0.38165400  0.26753500  0.66320600  1
  O  O92  1  0.21712100  0.35542200  0.59396000  1
  O  O93  1  0.31774700  0.34592900  0.42470100  1
  O  O94  1  0.46584100  0.71255500  0.41798500  1
  O  O95  1  0.89512300  0.41707800  0.65584000  1
  O  O96  1  0.74829100  0.44420500  0.73927600  1
  O  O97  1  0.96291400  0.39223300  0.47304100  1
  O  O98  1  0.93616700  0.32068800  0.55974100  1
  O  O99  1  0.41650200  0.04764700  0.74702900  1
  O  O100  1  0.06575700  0.29640700  0.37266300  1
  O  O101  1  0.08945600  0.14129300  0.74320100  1
  O  O102  1  0.54309600  0.96815900  0.57063600  1
  O  O103  1  0.70503400  0.28285600  0.67896600  1
  O  O104  1  0.15780700  0.10574900  0.50708600  1
  O  O105  1  0.17806100  0.95877900  0.87914100  1
  O  O106  1  0.82989400  0.20718700  0.50239400  1
  O  O107  1  0.31415600  0.92788700  0.68947000  1
  O  O108  1  0.29137600  0.85658700  0.77613200  1
  O  O109  1  0.49266200  0.80979400  0.51108500  1
  O  O110  1  0.34969800  0.83510500  0.59426900  1
  O  O111  1  0.78926200  0.53599300  0.83218500  1
  O  O112  1  0.92758000  0.90507200  0.82528300  1
  O  O113  1  0.03990900  0.89356100  0.65490200  1
  O  O114  1  0.87328000  0.98238200  0.58650700  1
  O  O115  1  0.63185300  0.51724400  0.91358200  1
  O  O116  1  0.46729200  0.60515000  0.84412100  1
  O  O117  1  0.56821400  0.59559700  0.67490600  1
  O  O118  1  0.71412800  0.96617200  0.66784400  1
  O  O119  1  0.14477900  0.66635400  0.90584700  1
  O  O120  1  0.99969300  0.69370700  0.98935300  1
  O  O121  1  0.21209000  0.64267600  0.72285300  1
  O  O122  1  0.18584200  0.57137300  0.80966800  1
  O  O123  1  0.66928900  0.29144100  0.99630000  1
  O  O124  1  0.32181900  0.54290400  0.62171800  1
  O  O125  1  0.33979200  0.38982700  0.99344600  1
  O  O126  1  0.79300900  0.21785300  0.82078800  1
  O  O127  1  0.95384300  0.53225200  0.92971200  1
  O  O128  1  0.40740700  0.35650800  0.75721500  1
  O  O129  1  0.07990300  0.45720600  0.75231600  1
  O  O130  1  0.56191000  0.17394100  0.94044800  1
  O  O131  1  0.74287300  0.05947400  0.76119400  1
  O  O132  1  0.59962900  0.08494700  0.84442800  1
  O  O133  1  0.28967100  0.14365300  0.90491400  1
  O  O134  1  0.12270100  0.23243200  0.83655900  1
  O  O135  1  0.81801500  0.84518000  0.92513800  1
  O  O136  1  0.96375500  0.21715900  0.91814500  1
  O  O137  1  0.45978300  0.89427500  0.97324700  1
  O  O138  1  0.57196400  0.79246500  0.87178100  1
