# generated using pymatgen
data_LiCa9Mg(PO4)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41871700
_cell_length_b   13.84241813
_cell_length_c   18.04547470
_cell_angle_alpha   102.54885161
_cell_angle_beta   90.00013335
_cell_angle_gamma   112.10623408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa9Mg(PO4)7
_chemical_formula_sum   'Li4 Ca36 Mg4 P28 O112'
_cell_volume   2343.96423777
_cell_formula_units_Z   4
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  0.76392100  0.53335800  0.92360000  1
  Li  Li1  1  0.22258800  0.44348900  0.40509800  1
  Li  Li2  1  0.96584500  0.93940200  0.65666100  1
  Li  Li3  1  0.46780600  0.93961600  0.15446700  1
  Ca  Ca4  1  0.30695000  0.20709800  0.96495400  1
  Ca  Ca5  1  0.60782300  0.20843100  0.67284800  1
  Ca  Ca6  1  0.31468000  0.02982200  0.76767400  1
  Ca  Ca7  1  0.89108300  0.20137800  0.96780500  1
  Ca  Ca8  1  0.50890700  0.03492800  0.97310800  1
  Ca  Ca9  1  0.72395700  0.02991500  0.77524400  1
  Ca  Ca10  1  0.15576200  0.70918100  0.71258700  1
  Ca  Ca11  1  0.34587400  0.70867600  0.92002900  1
  Ca  Ca12  1  0.56426000  0.70856300  0.71737500  1
  Ca  Ca13  1  0.80472500  0.20875700  0.46281700  1
  Ca  Ca14  1  0.11238500  0.20863900  0.17152000  1
  Ca  Ca15  1  0.93495100  0.31106200  0.78550800  1
  Ca  Ca16  1  0.16748900  0.31272900  0.57528600  1
  Ca  Ca17  1  0.81994400  0.02922800  0.26374500  1
  Ca  Ca18  1  0.36599600  0.31286100  0.79562700  1
  Ca  Ca19  1  0.39063400  0.20394400  0.47081200  1
  Ca  Ca20  1  0.00110400  0.02763800  0.47466100  1
  Ca  Ca21  1  0.21937800  0.02601400  0.27680000  1
  Ca  Ca22  1  0.62683400  0.81139500  0.52962900  1
  Ca  Ca23  1  0.65335200  0.70948300  0.21376200  1
  Ca  Ca24  1  0.84561700  0.70656900  0.41840700  1
  Ca  Ca25  1  0.06351300  0.70570200  0.21720000  1
  Ca  Ca26  1  0.89636400  0.81306000  0.82442200  1
  Ca  Ca27  1  0.19995800  0.81481200  0.54926000  1
  Ca  Ca28  1  0.56008700  0.52664400  0.52451800  1
  Ca  Ca29  1  0.95671900  0.52746400  0.51636900  1
  Ca  Ca30  1  0.43050100  0.31146500  0.28355300  1
  Ca  Ca31  1  0.77307300  0.53047300  0.72331300  1
  Ca  Ca32  1  0.66661700  0.31042600  0.07578400  1
  Ca  Ca33  1  0.86149500  0.30941100  0.29926900  1
  Ca  Ca34  1  0.12703500  0.80971700  0.03149800  1
  Ca  Ca35  1  0.38686800  0.80807800  0.32517600  1
  Ca  Ca36  1  0.69800800  0.81459900  0.05051700  1
  Ca  Ca37  1  0.05593000  0.52692400  0.02326800  1
  Ca  Ca38  1  0.45509800  0.52749700  0.01612000  1
  Ca  Ca39  1  0.27699500  0.52728600  0.22425200  1
  Mg  Mg40  1  0.00106900  0.00097800  0.00267500  1
  Mg  Mg41  1  0.50381400  0.00220600  0.49879500  1
  Mg  Mg42  1  0.25309300  0.49879500  0.75121000  1
  Mg  Mg43  1  0.75394000  0.50270300  0.25134500  1
  P  P44  1  0.60221400  0.20620800  0.86502600  1
  P  P45  1  0.19952000  0.91083400  0.89049000  1
  P  P46  1  0.47895400  0.91299300  0.65588000  1
  P  P47  1  0.69075000  0.91173500  0.91116400  1
  P  P48  1  0.02690200  0.59885100  0.84511100  1
  P  P49  1  0.31882300  0.59553600  0.58631100  1
  P  P50  1  0.96120500  0.41073600  0.64039800  1
  P  P51  1  0.55242900  0.59778200  0.86530000  1
  P  P52  1  0.18823000  0.41209800  0.90967200  1
  P  P53  1  0.47457700  0.40834100  0.66061800  1
  P  P54  1  0.10110300  0.20393600  0.36474700  1
  P  P55  1  0.82810500  0.10167300  0.59569500  1
  P  P56  1  0.69863000  0.91035300  0.38887100  1
  P  P57  1  0.97975200  0.91301000  0.15643100  1
  P  P58  1  0.03239200  0.09844600  0.83997400  1
  P  P59  1  0.28986900  0.10104500  0.61746300  1
  P  P60  1  0.18857400  0.91423200  0.41104200  1
  P  P61  1  0.52546600  0.60218700  0.34768800  1
  P  P62  1  0.82241400  0.60035600  0.09083200  1
  P  P63  1  0.85266900  0.70571200  0.62042000  1
  P  P64  1  0.45605100  0.40685100  0.13787300  1
  P  P65  1  0.05665300  0.60090700  0.36433300  1
  P  P66  1  0.68527900  0.40936500  0.40979900  1
  P  P67  1  0.96949400  0.41159400  0.15954500  1
  P  P68  1  0.32632400  0.09937500  0.09448200  1
  P  P69  1  0.52789700  0.10016500  0.33675100  1
  P  P70  1  0.78908000  0.09608100  0.11665400  1
  P  P71  1  0.35090700  0.70123700  0.11620000  1
  O  O72  1  0.48159200  0.24333700  0.87396700  1
  O  O73  1  0.69283200  0.24398800  0.80568500  1
  O  O74  1  0.69186500  0.24462400  0.94414100  1
  O  O75  1  0.29723500  0.03101700  0.90428100  1
  O  O76  1  0.53968500  0.07738100  0.84464200  1
  O  O77  1  0.52684200  0.03234600  0.69211700  1
  O  O78  1  0.15312000  0.87517800  0.80372300  1
  O  O79  1  0.07240800  0.89218700  0.93611300  1
  O  O80  1  0.45118700  0.89209700  0.56863800  1
  O  O81  1  0.72378100  0.03198100  0.91491500  1
  O  O82  1  0.33336800  0.85411300  0.68824500  1
  O  O83  1  0.58873700  0.87365900  0.67509300  1
  O  O84  1  0.29150200  0.85450600  0.91473300  1
  O  O85  1  0.96861800  0.66704600  0.80355600  1
  O  O86  1  0.56338800  0.87763200  0.95925900  1
  O  O87  1  0.64989700  0.84718900  0.82251300  1
  O  O88  1  0.21888600  0.64727300  0.56266500  1
  O  O89  1  0.80962600  0.88898600  0.93938400  1
  O  O90  1  0.47489400  0.66866700  0.58579200  1
  O  O91  1  0.05547300  0.64731000  0.93364900  1
  O  O92  1  0.98669400  0.53401900  0.65470400  1
  O  O93  1  0.16395200  0.60143300  0.80856900  1
  O  O94  1  0.30205500  0.59994600  0.67692300  1
  O  O95  1  0.90222400  0.48324600  0.82960600  1
  O  O96  1  0.28785400  0.48814100  0.53708700  1
  O  O97  1  0.43764600  0.60145100  0.81698900  1
  O  O98  1  0.55607600  0.67330200  0.94605500  1
  O  O99  1  0.96970200  0.37128200  0.55225000  1
  O  O100  1  0.81042500  0.35201700  0.66704400  1
  O  O101  1  0.69379200  0.64115700  0.83054300  1
  O  O102  1  0.25932700  0.53435600  0.94246800  1
  O  O103  1  0.54916500  0.53183100  0.66476500  1
  O  O104  1  0.07288000  0.39203700  0.68401000  1
  O  O105  1  0.98641400  0.24703300  0.37395700  1
  O  O106  1  0.03653400  0.37414300  0.92834200  1
  O  O107  1  0.18824200  0.38815500  0.81622800  1
  O  O108  1  0.19433300  0.24866400  0.30428200  1
  O  O109  1  0.32809700  0.38939700  0.69473100  1
  O  O110  1  0.53173300  0.48618700  0.87902300  1
  O  O111  1  0.44979900  0.34940400  0.57464400  1
  O  O112  1  0.18740300  0.24295500  0.44617500  1
  O  O113  1  0.69421100  0.10093200  0.56226000  1
  O  O114  1  0.94747300  0.16461200  0.55504800  1
  O  O115  1  0.56562300  0.37343400  0.70846500  1
  O  O116  1  0.26331900  0.34863700  0.93655500  1
  O  O117  1  0.83392400  0.14126700  0.68491700  1
  O  O118  1  0.80052900  0.03429600  0.40693000  1
  O  O119  1  0.04368100  0.08235400  0.34924000  1
  O  O120  1  0.02850600  0.03140200  0.19402100  1
  O  O121  1  0.94094600  0.16838200  0.83504900  1
  O  O122  1  0.20370400  0.14742700  0.57780000  1
  O  O123  1  0.65364000  0.87369800  0.29989800  1
  O  O124  1  0.57398500  0.89298600  0.43568300  1
  O  O125  1  0.95703700  0.89077100  0.06725300  1
  O  O126  1  0.83333000  0.98122000  0.57965000  1
  O  O127  1  0.35694200  0.16598300  0.69350400  1
  O  O128  1  0.17756700  0.14325800  0.81478500  1
  O  O129  1  0.22499200  0.02788800  0.41491700  1
  O  O130  1  0.83176300  0.84854000  0.18449800  1
  O  O131  1  0.04802900  0.10141700  0.92252400  1
  O  O132  1  0.41070900  0.09719200  0.56476800  1
  O  O133  1  0.09564700  0.87655500  0.17578500  1
  O  O134  1  0.78372800  0.84979900  0.41482700  1
  O  O135  1  0.94910400  0.98828600  0.78618600  1
  O  O136  1  0.19378800  0.98368100  0.62417900  1
  O  O137  1  0.46706700  0.66537600  0.30412800  1
  O  O138  1  0.06597000  0.87670000  0.45678500  1
  O  O139  1  0.15274900  0.84955800  0.32602900  1
  O  O140  1  0.72174400  0.64623700  0.05943900  1
  O  O141  1  0.31246600  0.89076500  0.44467300  1
  O  O142  1  0.97606600  0.66659400  0.08476700  1
  O  O143  1  0.55547500  0.64556200  0.43535700  1
  O  O144  1  0.79471600  0.74451600  0.55568500  1
  O  O145  1  0.48337300  0.53275600  0.15842400  1
  O  O146  1  0.66224000  0.60327500  0.30866300  1
  O  O147  1  0.81009800  0.60426300  0.17587100  1
  O  O148  1  0.80963400  0.74517000  0.69629200  1
  O  O149  1  0.01431900  0.74296600  0.62115400  1
  O  O150  1  0.40393600  0.48350500  0.32756000  1
  O  O151  1  0.78814300  0.48323500  0.03592200  1
  O  O152  1  0.94083900  0.60287300  0.31608100  1
  O  O153  1  0.05985700  0.67172000  0.44622500  1
  O  O154  1  0.46397400  0.37221800  0.05440300  1
  O  O155  1  0.30774300  0.34967000  0.16473600  1
  O  O156  1  0.19126400  0.64061300  0.32406800  1
  O  O157  1  0.75501500  0.53413900  0.44538400  1
  O  O158  1  0.78844600  0.57772300  0.59469000  1
  O  O159  1  0.05805500  0.53481300  0.16629300  1
  O  O160  1  0.56455900  0.39101900  0.18353000  1
  O  O161  1  0.53348400  0.37308100  0.42927400  1
  O  O162  1  0.68305100  0.38667600  0.32001900  1
  O  O163  1  0.83409200  0.39008000  0.19325800  1
  O  O164  1  0.03902100  0.48851200  0.37642500  1
  O  O165  1  0.94704400  0.35039300  0.07128600  1
  O  O166  1  0.19485400  0.10394700  0.06099800  1
  O  O167  1  0.44982900  0.16885900  0.05783900  1
  O  O168  1  0.06443900  0.37269300  0.20917700  1
  O  O169  1  0.76842000  0.35151200  0.43965600  1
  O  O170  1  0.33953500  0.14369200  0.18497400  1
  O  O171  1  0.44273500  0.16943600  0.33107100  1
  O  O172  1  0.69873600  0.14531100  0.07430100  1
  O  O173  1  0.32892300  0.98395300  0.07798600  1
  O  O174  1  0.86312500  0.17174900  0.19560400  1
  O  O175  1  0.68053000  0.14509900  0.30989800  1
  O  O176  1  0.54206700  0.10099100  0.42672600  1
  O  O177  1  0.91244800  0.10169900  0.06750700  1
  O  O178  1  0.45012700  0.98302900  0.28567900  1
  O  O179  1  0.69410200  0.98323000  0.12751100  1
  O  O180  1  0.29765800  0.74842000  0.05688700  1
  O  O181  1  0.30641800  0.74817100  0.19870700  1
  O  O182  1  0.51745800  0.74567700  0.12040500  1
  O  O183  1  0.29206900  0.57895900  0.09465700  1
