# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73213600
_cell_length_b   9.81313700
_cell_length_c   11.18753699
_cell_angle_alpha   78.26249462
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1046.09967542
_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  0.63549400  0.14640600  0.95723400  1
  Li  Li1  1  0.84439800  0.41201500  0.02414700  1
  Li  Li2  1  0.16125200  0.33870900  0.53987000  1
  Li  Li3  1  0.46407700  0.39466500  0.45345400  1
  Li  Li4  1  0.36450600  0.64640600  0.95723400  1
  Li  Li5  1  0.15560200  0.91201500  0.02414700  1
  Li  Li6  1  0.83874800  0.83870900  0.53987000  1
  Li  Li7  1  0.53592300  0.89466500  0.45345400  1
  Mn  Mn8  1  0.17858200  0.20591100  0.32150200  1
  Mn  Mn9  1  0.47448500  0.27273200  0.16203500  1
  Mn  Mn10  1  0.97508400  0.21340200  0.83826400  1
  Mn  Mn11  1  0.68071900  0.31136200  0.66451000  1
  Mn  Mn12  1  0.82141800  0.70591100  0.32150200  1
  Mn  Mn13  1  0.52551500  0.77273200  0.16203500  1
  Mn  Mn14  1  0.02491600  0.71340200  0.83826400  1
  Mn  Mn15  1  0.31928100  0.81136200  0.66451000  1
  P  P16  1  0.69951400  0.02314500  0.24421000  1
  P  P17  1  0.96438600  0.11603300  0.11789600  1
  P  P18  1  0.18033400  0.06479900  0.75608800  1
  P  P19  1  0.40431100  0.13563600  0.57646300  1
  P  P20  1  0.89057100  0.38381900  0.42429700  1
  P  P21  1  0.66872400  0.43161000  0.24227400  1
  P  P22  1  0.30048600  0.52314500  0.24421000  1
  P  P23  1  0.46004700  0.37982600  0.88201700  1
  P  P24  1  0.03561400  0.61603300  0.11789600  1
  P  P25  1  0.18778400  0.46464200  0.76100200  1
  P  P26  1  0.81966600  0.56479900  0.75608800  1
  P  P27  1  0.59568900  0.63563600  0.57646300  1
  P  P28  1  0.10942900  0.88381900  0.42429700  1
  P  P29  1  0.33127600  0.93161000  0.24227400  1
  P  P30  1  0.53995300  0.87982600  0.88201700  1
  P  P31  1  0.81221600  0.96464200  0.76100200  1
  O  O32  1  0.66357000  0.02372900  0.37336200  1
  O  O33  1  0.10850200  0.04138500  0.42603800  1
  O  O34  1  0.34119500  0.08224700  0.25943500  1
  O  O35  1  0.60526000  0.10618800  0.14398500  1
  O  O36  1  0.84701800  0.09520200  0.22153300  1
  O  O37  1  0.07694100  0.19416300  0.17274200  1
  O  O38  1  0.89775600  0.21699800  0.00300200  1
  O  O39  1  0.51539700  0.01992400  0.90913300  1
  O  O40  1  0.32613200  0.12617900  0.70588600  1
  O  O41  1  0.16518100  0.06731400  0.88977200  1
  O  O42  1  0.80283200  0.10972400  0.80239400  1
  O  O43  1  0.54036500  0.20729200  0.59168400  1
  O  O44  1  0.06969000  0.16995800  0.69083700  1
  O  O45  1  0.31454500  0.23004200  0.47905800  1
  O  O46  1  0.81228900  0.29866700  0.53349500  1
  O  O47  1  0.55047500  0.33648200  0.30755600  1
  O  O48  1  0.03421300  0.32836300  0.41005900  1
  O  O49  1  0.28787000  0.36885300  0.21655600  1
  O  O50  1  0.80996900  0.36778500  0.30150000  1
  O  O51  1  0.66430700  0.40473700  0.11263200  1
  O  O52  1  0.99889000  0.47915800  0.08980800  1
  O  O53  1  0.42026200  0.26833000  0.99809600  1
  O  O54  1  0.58102800  0.31379600  0.82107900  1
  O  O55  1  0.33559300  0.38762100  0.78705000  1
  O  O56  1  0.82813900  0.41606000  0.72751600  1
  O  O57  1  0.08604800  0.37470200  0.85005500  1
  O  O58  1  0.33643000  0.52372900  0.37336200  1
  O  O59  1  0.57998800  0.48740000  0.55727000  1
  O  O60  1  0.89149800  0.54138500  0.42603800  1
  O  O61  1  0.16381700  0.47672500  0.62826200  1
  O  O62  1  0.39474000  0.60618800  0.14398500  1
  O  O63  1  0.65880500  0.58224700  0.25943500  1
  O  O64  1  0.15298200  0.59520200  0.22153300  1
  O  O65  1  0.92305900  0.69416300  0.17274200  1
  O  O66  1  0.10224400  0.71699800  0.00300200  1
  O  O67  1  0.48460300  0.51992400  0.90913300  1
  O  O68  1  0.83481900  0.56731400  0.88977200  1
  O  O69  1  0.67386800  0.62617900  0.70588600  1
  O  O70  1  0.19716800  0.60972400  0.80239400  1
  O  O71  1  0.45963500  0.70729200  0.59168400  1
  O  O72  1  0.93031000  0.66995800  0.69083700  1
  O  O73  1  0.68545500  0.73004200  0.47905800  1
  O  O74  1  0.18771100  0.79866700  0.53349500  1
  O  O75  1  0.44952500  0.83648200  0.30755600  1
  O  O76  1  0.96578700  0.82836300  0.41005900  1
  O  O77  1  0.71213000  0.86885300  0.21655600  1
  O  O78  1  0.33569300  0.90473700  0.11263200  1
  O  O79  1  0.19003100  0.86778500  0.30150000  1
  O  O80  1  0.00111000  0.97915800  0.08980800  1
  O  O81  1  0.57973800  0.76833000  0.99809600  1
  O  O82  1  0.41897200  0.81379600  0.82107900  1
  O  O83  1  0.66440700  0.88762100  0.78705000  1
  O  O84  1  0.91395200  0.87470200  0.85005500  1
  O  O85  1  0.17186100  0.91606000  0.72751600  1
  O  O86  1  0.42001200  0.98740000  0.55727000  1
  O  O87  1  0.83618300  0.97672500  0.62826200  1
