# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71437100
_cell_length_b   9.81238678
_cell_length_c   11.15482349
_cell_angle_alpha   101.56653405
_cell_angle_beta   90.41351051
_cell_angle_gamma   89.95686052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1041.67064147
_cell_formula_units_Z   8
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  0.61928100  0.15117100  0.04423900  1
  Li  Li1  1  0.38856900  0.40494600  0.97387800  1
  Li  Li2  1  0.04072700  0.40479600  0.50370500  1
  Li  Li3  1  0.60454700  0.58369800  0.02538400  1
  Li  Li4  1  0.90767500  0.64634800  0.04816200  1
  Li  Li5  1  0.09276900  0.91568400  0.97781200  1
  Li  Li6  1  0.42168300  0.84817900  0.46919900  1
  Li  Li7  1  0.71616500  0.89354500  0.54579000  1
  Mn  Mn8  1  0.07269200  0.20132500  0.66779000  1
  Mn  Mn9  1  0.78900000  0.25813800  0.82805900  1
  Mn  Mn10  1  0.27491400  0.21048500  0.16147100  1
  Mn  Mn11  1  0.57806400  0.31560400  0.34297400  1
  Mn  Mn12  1  0.42563500  0.70238400  0.67828900  1
  Mn  Mn13  1  0.72110600  0.76825000  0.83133100  1
  Mn  Mn14  1  0.21696500  0.72130800  0.16498900  1
  Mn  Mn15  1  0.93100900  0.81162800  0.33676700  1
  P  P16  1  0.55217000  0.02527100  0.75505000  1
  P  P17  1  0.28192500  0.11547000  0.87666600  1
  P  P18  1  0.07212100  0.06547900  0.24644000  1
  P  P19  1  0.84909300  0.13685300  0.42992800  1
  P  P20  1  0.35634600  0.38257600  0.57282100  1
  P  P21  1  0.57506700  0.43464200  0.75995700  1
  P  P22  1  0.94381400  0.51924100  0.75089800  1
  P  P23  1  0.79441300  0.37827100  0.11692300  1
  P  P24  1  0.20586200  0.61784500  0.88718300  1
  P  P25  1  0.06648700  0.46508900  0.23981100  1
  P  P26  1  0.43546500  0.56190900  0.24251300  1
  P  P27  1  0.65756400  0.63606100  0.42467800  1
  P  P28  1  0.14354300  0.87738000  0.57310300  1
  P  P29  1  0.92293000  0.92696400  0.75748900  1
  P  P30  1  0.71156800  0.87959200  0.11602400  1
  P  P31  1  0.43858500  0.96250200  0.23614500  1
  O  O32  1  0.58664900  0.02277100  0.62529300  1
  O  O33  1  0.14705100  0.03299600  0.56901300  1
  O  O34  1  0.91206100  0.07767700  0.73896000  1
  O  O35  1  0.64712900  0.11530500  0.85381600  1
  O  O36  1  0.40407700  0.09355100  0.77741100  1
  O  O37  1  0.17543300  0.19769000  0.81635700  1
  O  O38  1  0.34579600  0.21423400  0.99340700  1
  O  O39  1  0.73589700  0.01758700  0.08551500  1
  O  O40  1  0.93012100  0.12919100  0.30116800  1
  O  O41  1  0.08139400  0.06854200  0.11193100  1
  O  O42  1  0.44701800  0.10547900  0.19260400  1
  O  O43  1  0.71066200  0.19928700  0.40762400  1
  O  O44  1  0.19016700  0.16321700  0.30729600  1
  O  O45  1  0.94120700  0.22488500  0.52959100  1
  O  O46  1  0.43716200  0.29695000  0.46646500  1
  O  O47  1  0.69287200  0.33617100  0.70342300  1
  O  O48  1  0.21060600  0.33208100  0.58625800  1
  O  O49  1  0.95497800  0.36729300  0.78496800  1
  O  O50  1  0.43462300  0.36893600  0.69814800  1
  O  O51  1  0.56466500  0.42902600  0.89446800  1
  O  O52  1  0.23471700  0.48357300  0.92390500  1
  O  O53  1  0.83435600  0.27008200  0.00141400  1
  O  O54  1  0.67339700  0.31544300  0.17901500  1
  O  O55  1  0.91753300  0.39148500  0.21405100  1
  O  O56  1  0.42824900  0.41547500  0.27505800  1
  O  O57  1  0.16704500  0.37500000  0.15076400  1
  O  O58  1  0.91972100  0.51519900  0.61925600  1
  O  O59  1  0.67082700  0.48882100  0.44198500  1
  O  O60  1  0.35881600  0.54112100  0.57010600  1
  O  O61  1  0.09374100  0.47911200  0.37216700  1
  O  O62  1  0.84618400  0.60532100  0.84735500  1
  O  O63  1  0.58689200  0.58422100  0.73484800  1
  O  O64  1  0.09061300  0.59326500  0.78110000  1
  O  O65  1  0.32243900  0.68876500  0.83128600  1
  O  O66  1  0.13686300  0.72297000  0.99888700  1
  O  O67  1  0.76914700  0.52075400  0.09012300  1
  O  O68  1  0.43503500  0.55873600  0.10668300  1
  O  O69  1  0.57715300  0.63197900  0.29504500  1
  O  O70  1  0.05333400  0.60957000  0.19524900  1
  O  O71  1  0.79482600  0.70659800  0.40778400  1
  O  O72  1  0.31861200  0.66229800  0.30013100  1
  O  O73  1  0.57059200  0.73365800  0.52128200  1
  O  O74  1  0.06625800  0.79032500  0.46379500  1
  O  O75  1  0.80206900  0.83423500  0.69167900  1
  O  O76  1  0.28775900  0.82210000  0.59043500  1
  O  O77  1  0.54269100  0.87262500  0.78717900  1
  O  O78  1  0.91888000  0.90269400  0.88729000  1
  O  O79  1  0.06145700  0.86219600  0.69538100  1
  O  O80  1  0.24071000  0.97867800  0.90139900  1
  O  O81  1  0.66723500  0.76577800  0.00054300  1
  O  O82  1  0.83202400  0.81291900  0.17702800  1
  O  O83  1  0.58784100  0.88786600  0.21117400  1
  O  O84  1  0.33860400  0.86917800  0.14557100  1
  O  O85  1  0.07940000  0.91418400  0.27223100  1
  O  O86  1  0.83500800  0.98650800  0.44593100  1
  O  O87  1  0.41294500  0.97255800  0.36829100  1
