# generated using pymatgen
data_Li3Mn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84143000
_cell_length_b   9.85241734
_cell_length_c   11.38826353
_cell_angle_alpha   89.72576924
_cell_angle_beta   76.69694480
_cell_angle_gamma   89.63007963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2(P2O7)2
_chemical_formula_sum   'Li12 Mn8 P16 O56'
_cell_volume   1074.56864361
_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  0.83055600  0.57451300  0.54185700  1
  Li  Li1  1  0.91170900  0.89023800  0.02726800  1
  Li  Li2  1  0.65833300  0.09325500  0.95702400  1
  Li  Li3  1  0.58719600  0.39431500  0.97176600  1
  Li  Li4  1  0.66431800  0.07810300  0.45859900  1
  Li  Li5  1  0.34928900  0.93414200  0.53124500  1
  Li  Li6  1  0.41287400  0.60732200  0.03116400  1
  Li  Li7  1  0.14880800  0.41354700  0.95889100  1
  Li  Li8  1  0.34665000  0.90844200  0.04277800  1
  Li  Li9  1  0.08736800  0.10494200  0.97045900  1
  Li  Li10  1  0.17481300  0.41270400  0.45160500  1
  Li  Li11  1  0.11508300  0.71998700  0.55028600  1
  Mn  Mn12  1  0.80009900  0.07633700  0.66701500  1
  Mn  Mn13  1  0.74190300  0.78410700  0.82441800  1
  Mn  Mn14  1  0.75623100  0.28740300  0.17816400  1
  Mn  Mn15  1  0.70244200  0.57593000  0.32568000  1
  Mn  Mn16  1  0.29871100  0.42211400  0.67121100  1
  Mn  Mn17  1  0.24616600  0.71559800  0.82423500  1
  Mn  Mn18  1  0.25218700  0.21682500  0.17943900  1
  Mn  Mn19  1  0.20187200  0.92503300  0.32631900  1
  P  P20  1  0.97507800  0.54756000  0.75560700  1
  P  P21  1  0.88089700  0.29218100  0.89105300  1
  P  P22  1  0.93681500  0.06824500  0.24119900  1
  P  P23  1  0.87719000  0.84928300  0.42439700  1
  P  P24  1  0.62275000  0.35192800  0.57618700  1
  P  P25  1  0.56200800  0.56835000  0.75723300  1
  P  P26  1  0.47790600  0.95420400  0.75521900  1
  P  P27  1  0.61924300  0.79207800  0.11117000  1
  P  P28  1  0.38211100  0.20579900  0.89263000  1
  P  P29  1  0.52443900  0.04891700  0.24545700  1
  P  P30  1  0.43705800  0.42994900  0.24217000  1
  P  P31  1  0.38028400  0.64764600  0.42045600  1
  P  P32  1  0.12217000  0.14920900  0.57826200  1
  P  P33  1  0.06139000  0.93166300  0.75641700  1
  P  P34  1  0.11663600  0.70701300  0.10943600  1
  P  P35  1  0.02158700  0.45366600  0.24789800  1
  O  O36  1  0.98054000  0.58002800  0.62471800  1
  O  O37  1  0.96778300  0.15761300  0.56895700  1
  O  O38  1  0.91364100  0.91921700  0.72910300  1
  O  O39  1  0.89340500  0.65030800  0.84607300  1
  O  O40  1  0.89738300  0.40381400  0.78289400  1
  O  O41  1  0.82140500  0.16808800  0.83922700  1
  O  O42  1  0.77066600  0.34809700  0.00104900  1
  O  O43  1  0.98004000  0.73216600  0.07757300  1
  O  O44  1  0.88347800  0.92061900  0.29452500  1
  O  O45  1  0.93898000  0.06261600  0.10785300  1
  O  O46  1  0.86695900  0.46333600  0.22630300  1
  O  O47  1  0.81989000  0.70700200  0.41314200  1
  O  O48  1  0.82717400  0.17344500  0.30433500  1
  O  O49  1  0.78544600  0.94146400  0.51810900  1
  O  O50  1  0.71567100  0.44034700  0.47979400  1
  O  O51  1  0.66952800  0.67497400  0.69525400  1
  O  O52  1  0.67859900  0.20701200  0.58838200  1
  O  O53  1  0.63222000  0.96843500  0.77825200  1
  O  O54  1  0.62284200  0.42169900  0.70552100  1
  O  O55  1  0.55679300  0.56339100  0.89094900  1
  O  O56  1  0.52158000  0.22411800  0.92437100  1
  O  O57  1  0.72318800  0.86035000  0.00068700  1
  O  O58  1  0.67876600  0.66987700  0.16460500  1
  O  O59  1  0.59805500  0.90288000  0.21936200  1
  O  O60  1  0.58299300  0.41298400  0.27090800  1
  O  O61  1  0.61104200  0.14562000  0.14835700  1
  O  O62  1  0.47756700  0.91940200  0.62811500  1
  O  O63  1  0.53284200  0.65141600  0.43141000  1
  O  O64  1  0.47013200  0.34553000  0.56545900  1
  O  O65  1  0.52025700  0.07969100  0.37459800  1
  O  O66  1  0.39528000  0.86145000  0.85572600  1
  O  O67  1  0.41631600  0.58431500  0.72640400  1
  O  O68  1  0.40576500  0.10245300  0.77933300  1
  O  O69  1  0.31697100  0.33154700  0.84705500  1
  O  O70  1  0.27662600  0.13624000  0.99987100  1
  O  O71  1  0.48020700  0.77456600  0.07795300  1
  O  O72  1  0.43889000  0.43480500  0.10895000  1
  O  O73  1  0.37867500  0.57895900  0.29253200  1
  O  O74  1  0.37472500  0.03650900  0.21649200  1
  O  O75  1  0.31849300  0.79119700  0.41620500  1
  O  O76  1  0.32907300  0.32712900  0.30800000  1
  O  O77  1  0.27982500  0.56461100  0.51783800  1
  O  O78  1  0.21308200  0.05976300  0.48214400  1
  O  O79  1  0.16204400  0.82243100  0.68781900  1
  O  O80  1  0.17770800  0.29271700  0.58928500  1
  O  O81  1  0.12630900  0.52999000  0.78045400  1
  O  O82  1  0.06359200  0.93235500  0.88868800  1
  O  O83  1  0.12200800  0.07844700  0.70757800  1
  O  O84  1  0.02165900  0.27460200  0.92087300  1
  O  O85  1  0.22378600  0.63587100  0.00300300  1
  O  O86  1  0.18706300  0.82804100  0.15723500  1
  O  O87  1  0.09156900  0.60115200  0.22247900  1
  O  O88  1  0.10435700  0.36010100  0.14698100  1
  O  O89  1  0.08222300  0.08776400  0.26956900  1
  O  O90  1  0.02959000  0.83761600  0.43913900  1
  O  O91  1  0.02507800  0.41983600  0.37500500  1
