# generated using pymatgen
data_Li3Mn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84863800
_cell_length_b   9.87021683
_cell_length_c   11.34084859
_cell_angle_alpha   89.90310903
_cell_angle_beta   103.01728835
_cell_angle_gamma   90.58292811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2(P2O7)2
_chemical_formula_sum   'Li12 Mn8 P16 O56'
_cell_volume   1074.03768258
_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  0.88434600  0.71170600  0.54910600  1
  Li  Li1  1  0.91104700  0.10756700  0.97387700  1
  Li  Li2  1  0.58852800  0.61018300  0.02713200  1
  Li  Li3  1  0.66355900  0.91971900  0.54070200  1
  Li  Li4  1  0.62247100  0.22564000  0.44951300  1
  Li  Li5  1  0.34000400  0.06611300  0.46271600  1
  Li  Li6  1  0.41412800  0.39357500  0.96978500  1
  Li  Li7  1  0.14782400  0.58806300  0.04466900  1
  Li  Li8  1  0.35165400  0.08991100  0.95646500  1
  Li  Li9  1  0.08642300  0.89385900  0.02959800  1
  Li  Li10  1  0.17401900  0.58155900  0.54593200  1
  Li  Li11  1  0.10669600  0.28006700  0.44890500  1
  Mn  Mn12  1  0.79568700  0.91949600  0.32250500  1
  Mn  Mn13  1  0.74335900  0.21381100  0.17491400  1
  Mn  Mn14  1  0.75525400  0.71389300  0.82514100  1
  Mn  Mn15  1  0.70501300  0.42668500  0.67257400  1
  Mn  Mn16  1  0.29530800  0.57838800  0.32601700  1
  Mn  Mn17  1  0.24066900  0.28513700  0.17367300  1
  Mn  Mn18  1  0.26034500  0.78282000  0.82547700  1
  Mn  Mn19  1  0.20292500  0.07471700  0.67373600  1
  P  P20  1  0.97447100  0.45160400  0.24642700  1
  P  P21  1  0.88074300  0.70849800  0.11055800  1
  P  P22  1  0.94028600  0.92947700  0.75839500  1
  P  P23  1  0.87635500  0.14989600  0.57543900  1
  P  P24  1  0.62076800  0.64407700  0.42725900  1
  P  P25  1  0.55950800  0.43066300  0.24107900  1
  P  P26  1  0.47681700  0.05072400  0.24032400  1
  P  P27  1  0.62096200  0.21141300  0.88784300  1
  P  P28  1  0.38354100  0.79378100  0.10933800  1
  P  P29  1  0.52574000  0.95007800  0.75381200  1
  P  P30  1  0.43868100  0.57020400  0.75753600  1
  P  P31  1  0.37909900  0.35113200  0.57564200  1
  P  P32  1  0.12115900  0.84937500  0.42406800  1
  P  P33  1  0.06097400  0.06897500  0.24413300  1
  P  P34  1  0.11730900  0.29285200  0.88960900  1
  P  P35  1  0.02555800  0.54921000  0.75926200  1
  O  O36  1  0.98497700  0.42174900  0.37732400  1
  O  O37  1  0.96888800  0.83753600  0.43865800  1
  O  O38  1  0.91479300  0.08726800  0.27024200  1
  O  O39  1  0.88999200  0.34885100  0.15571300  1
  O  O40  1  0.89858900  0.59437100  0.21693100  1
  O  O41  1  0.82597300  0.82941400  0.16696700  1
  O  O42  1  0.77198900  0.65119200  0.99980300  1
  O  O43  1  0.98067500  0.26611800  0.92085800  1
  O  O44  1  0.88485700  0.07431500  0.70458700  1
  O  O45  1  0.93617600  0.93315400  0.89073800  1
  O  O46  1  0.87173100  0.54259700  0.77968600  1
  O  O47  1  0.80654400  0.28363700  0.58645900  1
  O  O48  1  0.83303300  0.82141800  0.69137300  1
  O  O49  1  0.77862400  0.06034300  0.47979900  1
  O  O50  1  0.71639900  0.56906700  0.53198300  1
  O  O51  1  0.65551300  0.31374900  0.29961900  1
  O  O52  1  0.68456600  0.78546500  0.41800500  1
  O  O53  1  0.63037000  0.04356200  0.21925200  1
  O  O54  1  0.62705700  0.57034500  0.30157700  1
  O  O55  1  0.55940700  0.44055900  0.10886100  1
  O  O56  1  0.52044600  0.76887600  0.07898000  1
  O  O57  1  0.72906000  0.15715600  0.99944500  1
  O  O58  1  0.67632000  0.33184100  0.82762200  1
  O  O59  1  0.60256000  0.09439400  0.78511600  1
  O  O60  1  0.58339700  0.58989300  0.72927800  1
  O  O61  1  0.60912300  0.84692500  0.84312600  1
  O  O62  1  0.47812900  0.08873800  0.37038600  1
  O  O63  1  0.53028600  0.34456900  0.55909400  1
  O  O64  1  0.46715500  0.65058900  0.43325100  1
  O  O65  1  0.51941500  0.92843000  0.62195900  1
  O  O66  1  0.38928800  0.14113700  0.14309200  1
  O  O67  1  0.41314100  0.41685800  0.27075000  1
  O  O68  1  0.40928000  0.90176900  0.22257000  1
  O  O69  1  0.31188000  0.67354700  0.15816800  1
  O  O70  1  0.27779600  0.86358800  0.00219800  1
  O  O71  1  0.48125200  0.22839900  0.92062900  1
  O  O72  1  0.43836800  0.56357300  0.89063600  1
  O  O73  1  0.38367000  0.42079500  0.70452900  1
  O  O74  1  0.37732400  0.96141300  0.78496800  1
  O  O75  1  0.31782600  0.20909900  0.58200000  1
  O  O76  1  0.32858900  0.67177400  0.69322800  1
  O  O77  1  0.27923900  0.43567800  0.48061100  1
  O  O78  1  0.21293700  0.93963900  0.51832300  1
  O  O79  1  0.16584400  0.17526800  0.31331400  1
  O  O80  1  0.17827400  0.70703800  0.41103500  1
  O  O81  1  0.12480500  0.46810200  0.21532000  1
  O  O82  1  0.06581100  0.06665400  0.11164400  1
  O  O83  1  0.11628600  0.92120600  0.29435400  1
  O  O84  1  0.02086400  0.72585400  0.07816200  1
  O  O85  1  0.22336300  0.36474700  0.99572300  1
  O  O86  1  0.18846000  0.17330300  0.84123300  1
  O  O87  1  0.09105900  0.40086400  0.77608900  1
  O  O88  1  0.11265600  0.64027600  0.85925800  1
  O  O89  1  0.08534100  0.90900600  0.73200100  1
  O  O90  1  0.02632700  0.16202800  0.55986200  1
  O  O91  1  0.02846100  0.59148200  0.63199600  1
