# generated using pymatgen
data_Li5Mn4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80000800
_cell_length_b   9.80618302
_cell_length_c   11.27269177
_cell_angle_alpha   89.96189933
_cell_angle_beta   76.96283504
_cell_angle_gamma   89.88423025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Mn4(P2O7)4
_chemical_formula_sum   'Li10 Mn8 P16 O56'
_cell_volume   1055.38753444
_cell_formula_units_Z   2
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  0.91196500  0.89178900  0.02650500  1
  Li  Li1  1  0.59054300  0.39174600  0.97296500  1
  Li  Li2  1  0.66320900  0.07799700  0.46112700  1
  Li  Li3  1  0.34989100  0.93632400  0.52931300  1
  Li  Li4  1  0.41133800  0.60524100  0.02950500  1
  Li  Li5  1  0.14796200  0.41390200  0.95508300  1
  Li  Li6  1  0.35297900  0.90967100  0.04320500  1
  Li  Li7  1  0.08831700  0.10508100  0.96969000  1
  Li  Li8  1  0.16016100  0.42038300  0.46264000  1
  Li  Li9  1  0.10918900  0.71984500  0.54816800  1
  Mn  Mn10  1  0.80122600  0.07605500  0.67071700  1
  Mn  Mn11  1  0.74277500  0.78723800  0.82394100  1
  Mn  Mn12  1  0.75986600  0.28766700  0.17707600  1
  Mn  Mn13  1  0.69915400  0.57561100  0.33446200  1
  Mn  Mn14  1  0.29707000  0.42461800  0.67251100  1
  Mn  Mn15  1  0.24330500  0.71535700  0.82501500  1
  Mn  Mn16  1  0.26040700  0.21642800  0.17516500  1
  Mn  Mn17  1  0.20033400  0.92508000  0.32654200  1
  P  P18  1  0.97271200  0.55016800  0.75237400  1
  P  P19  1  0.87984900  0.28942600  0.88664400  1
  P  P20  1  0.93781400  0.07105500  0.24086400  1
  P  P21  1  0.87439000  0.84943100  0.42842600  1
  P  P22  1  0.62276900  0.35832900  0.56967000  1
  P  P23  1  0.56326100  0.57191900  0.75755400  1
  P  P24  1  0.47924500  0.94896100  0.75618600  1
  P  P25  1  0.62115900  0.78814500  0.11567800  1
  P  P26  1  0.38519600  0.20780300  0.89157000  1
  P  P27  1  0.52720900  0.05554600  0.24596200  1
  P  P28  1  0.43705800  0.42984100  0.24131300  1
  P  P29  1  0.37695400  0.64886100  0.42429300  1
  P  P30  1  0.12188300  0.14937800  0.57986200  1
  P  P31  1  0.06461600  0.92855500  0.75749400  1
  P  P32  1  0.11533700  0.70576400  0.10949700  1
  P  P33  1  0.02590400  0.44486700  0.24395200  1
  O  O34  1  0.98435400  0.57936100  0.62105900  1
  O  O35  1  0.96711900  0.15595600  0.56968700  1
  O  O36  1  0.91689800  0.91175600  0.73204700  1
  O  O37  1  0.88467200  0.65251300  0.84389200  1
  O  O38  1  0.89567500  0.40668500  0.78353200  1
  O  O39  1  0.82233100  0.16885900  0.82653100  1
  O  O40  1  0.77175900  0.34292700  0.00054700  1
  O  O41  1  0.97859000  0.73176300  0.07796800  1
  O  O42  1  0.87995500  0.92788900  0.29876500  1
  O  O43  1  0.93893800  0.06410500  0.10665600  1
  O  O44  1  0.87491400  0.44852100  0.21460700  1
  O  O45  1  0.81147200  0.71360900  0.41060000  1
  O  O46  1  0.82642300  0.17906500  0.30169900  1
  O  O47  1  0.78426600  0.94564900  0.52535100  1
  O  O48  1  0.71067100  0.43848900  0.46231700  1
  O  O49  1  0.66242600  0.69055100  0.70418900  1
  O  O50  1  0.67942000  0.21573200  0.58228000  1
  O  O51  1  0.63407200  0.95876600  0.78043400  1
  O  O52  1  0.63187500  0.43384200  0.69495000  1
  O  O53  1  0.55850200  0.55891600  0.89174700  1
  O  O54  1  0.52199500  0.23211200  0.92335700  1
  O  O55  1  0.72977100  0.83936000  0.00131800  1
  O  O56  1  0.67808500  0.67040400  0.18074200  1
  O  O57  1  0.60142400  0.90990100  0.21465000  1
  O  O58  1  0.58253300  0.41208500  0.26983800  1
  O  O59  1  0.61697700  0.15771900  0.15701700  1
  O  O60  1  0.47806800  0.91769400  0.62745700  1
  O  O61  1  0.52646600  0.65362100  0.43946700  1
  O  O62  1  0.46500400  0.35168400  0.56785000  1
  O  O63  1  0.51570200  0.07528800  0.37902300  1
  O  O64  1  0.39389500  0.85658400  0.85661600  1
  O  O65  1  0.41622100  0.58449900  0.72715400  1
  O  O66  1  0.40836200  0.09803400  0.78157900  1
  O  O67  1  0.31260600  0.32787300  0.84268300  1
  O  O68  1  0.27689000  0.13890100  0.00218000  1
  O  O69  1  0.48105700  0.76758900  0.08363800  1
  O  O70  1  0.43684000  0.43389600  0.10750900  1
  O  O71  1  0.37666900  0.57578700  0.29489000  1
  O  O72  1  0.37863100  0.04822900  0.20980200  1
  O  O73  1  0.31593500  0.79061300  0.41548900  1
  O  O74  1  0.32842100  0.32162600  0.30369500  1
  O  O75  1  0.27500700  0.56424800  0.52063800  1
  O  O76  1  0.21294900  0.06289100  0.48224100  1
  O  O77  1  0.16690800  0.82136800  0.68713500  1
  O  O78  1  0.17590200  0.29442500  0.59334100  1
  O  O79  1  0.12382400  0.53444200  0.78501200  1
  O  O80  1  0.06943200  0.92966100  0.89059000  1
  O  O81  1  0.12280900  0.07691200  0.70903500  1
  O  O82  1  0.02065100  0.27101300  0.91810200  1
  O  O83  1  0.22240400  0.63388300  0.00231200  1
  O  O84  1  0.18800200  0.82616800  0.15720900  1
  O  O85  1  0.08960900  0.59585200  0.22143800  1
  O  O86  1  0.12015800  0.35402600  0.14219800  1
  O  O87  1  0.08346900  0.09325500  0.26827500  1
  O  O88  1  0.02531000  0.83761400  0.44226500  1
  O  O89  1  0.02767800  0.40692900  0.37047300  1
