# generated using pymatgen
data_LiMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65879170
_cell_length_b   9.70381686
_cell_length_c   11.21858026
_cell_angle_alpha   89.10860967
_cell_angle_beta   99.88165289
_cell_angle_gamma   89.74967954
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2(P2O7)2
_chemical_formula_sum   'Li4 Mn8 P16 O56'
_cell_volume   1035.73421153
_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  0.59917900  0.02993900  0.49613000  1
  Li  Li1  1  0.91484700  0.91058100  0.98573800  1
  Li  Li2  1  0.84647000  0.57448400  0.47029200  1
  Li  Li3  1  0.89999100  0.28712300  0.54787300  1
  Mn  Mn4  1  0.20147100  0.92928800  0.66150000  1
  Mn  Mn5  1  0.28071700  0.23081900  0.83966800  1
  Mn  Mn6  1  0.22127500  0.72617800  0.16314800  1
  Mn  Mn7  1  0.30425100  0.42960900  0.34064400  1
  Mn  Mn8  1  0.69642100  0.57534500  0.67636800  1
  Mn  Mn9  1  0.77037800  0.28124200  0.83156900  1
  Mn  Mn10  1  0.71236600  0.76815400  0.16563300  1
  Mn  Mn11  1  0.80691800  0.06656600  0.32900100  1
  P  P12  1  0.02241100  0.44694500  0.75064100  1
  P  P13  1  0.11910500  0.71529000  0.87835800  1
  P  P14  1  0.07297200  0.92857700  0.24812400  1
  P  P15  1  0.13293200  0.15178900  0.42725300  1
  P  P16  1  0.37470100  0.65059100  0.57748000  1
  P  P17  1  0.42703600  0.42369400  0.75449100  1
  P  P18  1  0.52922000  0.06306800  0.76037500  1
  P  P19  1  0.38197700  0.21486700  0.12357200  1
  P  P20  1  0.61069200  0.79160300  0.89093000  1
  P  P21  1  0.47415700  0.94061600  0.25139400  1
  P  P22  1  0.56712000  0.56683800  0.24223600  1
  P  P23  1  0.62881400  0.34054100  0.41519000  1
  P  P24  1  0.87419700  0.85153700  0.57593900  1
  P  P25  1  0.93358600  0.06951200  0.75665600  1
  P  P26  1  0.88596800  0.28955600  0.11428200  1
  P  P27  1  0.97310500  0.56026700  0.23861900  1
  O  O28  1  0.02064500  0.42967100  0.61836300  1
  O  O29  1  0.02739000  0.84240400  0.56375200  1
  O  O30  1  0.08484300  0.07307900  0.72789700  1
  O  O31  1  0.09652600  0.33630900  0.83751000  1
  O  O32  1  0.09900400  0.58958100  0.78684500  1
  O  O33  1  0.19555600  0.82466100  0.81286600  1
  O  O34  1  0.21305600  0.66619900  0.99684400  1
  O  O35  1  0.03046300  0.25033400  0.08804600  1
  O  O36  1  0.13774900  0.07025100  0.30163500  1
  O  O37  1  0.07803900  0.91880100  0.11421800  1
  O  O38  1  0.12491500  0.55216500  0.20674500  1
  O  O39  1  0.18754600  0.29588700  0.40516900  1
  O  O40  1  0.16831000  0.80808100  0.30743700  1
  O  O41  1  0.21907800  0.06825000  0.53053600  1
  O  O42  1  0.29287300  0.57375000  0.47101900  1
  O  O43  1  0.33239000  0.30664300  0.69142100  1
  O  O44  1  0.32446700  0.79570400  0.59869100  1
  O  O45  1  0.37802500  0.05332000  0.79115000  1
  O  O46  1  0.36094400  0.56683800  0.70185600  1
  O  O47  1  0.40850500  0.40453000  0.88585800  1
  O  O48  1  0.46452100  0.75901800  0.91731400  1
  O  O49  1  0.28979500  0.16719400  0.00558200  1
  O  O50  1  0.31099600  0.32668000  0.18697400  1
  O  O51  1  0.39992800  0.08789700  0.21624100  1
  O  O52  1  0.41547600  0.57077400  0.26917300  1
  O  O53  1  0.39065200  0.83615700  0.16657700  1
  O  O54  1  0.53864600  0.09042700  0.63181300  1
  O  O55  1  0.47909400  0.33855100  0.43707100  1
  O  O56  1  0.53492600  0.65062300  0.57313700  1
  O  O57  1  0.47825300  0.92361000  0.38415900  1
  O  O58  1  0.61495400  0.16214400  0.85183100  1
  O  O59  1  0.58178100  0.42062800  0.73119100  1
  O  O60  1  0.59984200  0.91236300  0.79218200  1
  O  O61  1  0.67540900  0.67067600  0.83522100  1
  O  O62  1  0.71407500  0.84429600  0.00365600  1
  O  O63  1  0.52622100  0.25555000  0.09727500  1
  O  O64  1  0.58231600  0.59622200  0.11190500  1
  O  O65  1  0.63133100  0.41840900  0.28582100  1
  O  O66  1  0.62582300  0.94622700  0.21636700  1
  O  O67  1  0.68099400  0.19170100  0.39744100  1
  O  O68  1  0.66811000  0.67613600  0.31280500  1
  O  O69  1  0.73183100  0.41826400  0.50898200  1
  O  O70  1  0.78295900  0.93660500  0.47449200  1
  O  O71  1  0.84181900  0.19200500  0.69208300  1
  O  O72  1  0.81621300  0.70565300  0.59486200  1
  O  O73  1  0.86411900  0.45958300  0.77811400  1
  O  O74  1  0.91731000  0.07512400  0.88735800  1
  O  O75  1  0.86175700  0.93028300  0.70012500  1
  O  O76  1  0.97547900  0.76031500  0.89884900  1
  O  O77  1  0.79120300  0.34308700  0.99782300  1
  O  O78  1  0.81789800  0.17177900  0.17568000  1
  O  O79  1  0.90105900  0.41164600  0.20914300  1
  O  O80  1  0.88722400  0.66506700  0.15096200  1
  O  O81  1  0.91999800  0.92256700  0.27596400  1
  O  O82  1  0.97586500  0.16349200  0.43640300  1
  O  O83  1  0.97294700  0.58150900  0.36954000  1
