# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73898400
_cell_length_b   9.74807492
_cell_length_c   11.22931848
_cell_angle_alpha   78.44077825
_cell_angle_beta   89.77516489
_cell_angle_gamma   89.80078838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1044.43655862
_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  0.10545500  0.91262500  0.02311600  1
  Li  Li1  1  0.91567300  0.66298200  0.46061700  1
  Li  Li2  1  0.21790300  0.60966300  0.54929100  1
  Li  Li3  1  0.40733500  0.42191500  0.02371900  1
  Li  Li4  1  0.09523700  0.35211000  0.04676300  1
  Li  Li5  1  0.88987700  0.09158900  0.97330800  1
  Li  Li6  1  0.58037300  0.16078200  0.46400400  1
  Li  Li7  1  0.28237500  0.10918800  0.55111600  1
  Mn  Mn8  1  0.91947200  0.79733300  0.67626300  1
  Mn  Mn9  1  0.21953500  0.73300500  0.83086400  1
  Mn  Mn10  1  0.71361500  0.76625000  0.17069500  1
  Mn  Mn11  1  0.42882700  0.69335000  0.33256700  1
  Mn  Mn12  1  0.58031800  0.29757100  0.67741900  1
  Mn  Mn13  1  0.28944400  0.23756900  0.82907100  1
  Mn  Mn14  1  0.77664300  0.27690700  0.16685400  1
  Mn  Mn15  1  0.06920100  0.19325300  0.33524700  1
  P  P16  1  0.44548000  0.97373200  0.75359500  1
  P  P17  1  0.70671600  0.88119700  0.88871300  1
  P  P18  1  0.93252600  0.93938100  0.24137700  1
  P  P19  1  0.15416400  0.86870300  0.42476000  1
  P  P20  1  0.64052500  0.62063400  0.57265800  1
  P  P21  1  0.42501000  0.56575600  0.75769800  1
  P  P22  1  0.05513300  0.47341400  0.75679400  1
  P  P23  1  0.21241100  0.62025300  0.11704500  1
  P  P24  1  0.79048000  0.39011400  0.88987600  1
  P  P25  1  0.93967900  0.53252500  0.24093100  1
  P  P26  1  0.56942600  0.43590500  0.24183900  1
  P  P27  1  0.34389700  0.36896200  0.42342300  1
  P  P28  1  0.85648800  0.12210200  0.57226200  1
  P  P29  1  0.07205400  0.06267200  0.75882500  1
  P  P30  1  0.29005800  0.11902200  0.11548500  1
  P  P31  1  0.56137100  0.02946400  0.24199600  1
  O  O32  1  0.42040900  0.98066700  0.62190900  1
  O  O33  1  0.85170900  0.96644200  0.56626900  1
  O  O34  1  0.08575000  0.91465200  0.73171200  1
  O  O35  1  0.34211900  0.88956900  0.84394000  1
  O  O36  1  0.59030600  0.89942400  0.78499400  1
  O  O37  1  0.82375700  0.80836100  0.83111400  1
  O  O38  1  0.65170800  0.78059300  0.00314200  1
  O  O39  1  0.25920900  0.98317500  0.08217700  1
  O  O40  1  0.07708800  0.87899200  0.29577600  1
  O  O41  1  0.93669100  0.94288600  0.10688600  1
  O  O42  1  0.55643700  0.87948000  0.21009400  1
  O  O43  1  0.29195000  0.80031900  0.40757800  1
  O  O44  1  0.82219300  0.83312500  0.30101000  1
  O  O45  1  0.06623000  0.77070800  0.51998100  1
  O  O46  1  0.55959000  0.70540400  0.46598000  1
  O  O47  1  0.30821800  0.66389300  0.69310100  1
  O  O48  1  0.78385700  0.67738000  0.58497700  1
  O  O49  1  0.04931800  0.62542800  0.78894300  1
  O  O50  1  0.56532300  0.63167200  0.69867700  1
  O  O51  1  0.41800000  0.57423300  0.88929900  1
  O  O52  1  0.76690000  0.52724400  0.92377300  1
  O  O53  1  0.16277700  0.72842800  0.00279400  1
  O  O54  1  0.32903900  0.67993600  0.18265900  1
  O  O55  1  0.08853100  0.60351200  0.21380700  1
  O  O56  1  0.58233000  0.58544400  0.27099200  1
  O  O57  1  0.84125800  0.62377100  0.14982600  1
  O  O58  1  0.08899600  0.47509700  0.62752700  1
  O  O59  1  0.33241000  0.51806800  0.44351400  1
  O  O60  1  0.64411900  0.46234600  0.56879100  1
  O  O61  1  0.91369800  0.52520300  0.37197100  1
  O  O62  1  0.14958100  0.38124100  0.85429300  1
  O  O63  1  0.41413700  0.41583000  0.73035400  1
  O  O64  1  0.90639700  0.40663200  0.78251300  1
  O  O65  1  0.67413700  0.31889800  0.83419600  1
  O  O66  1  0.85738700  0.28149000  0.00098800  1
  O  O67  1  0.23541600  0.47962200  0.08450900  1
  O  O68  1  0.57455300  0.42775000  0.10994700  1
  O  O69  1  0.42355100  0.37800100  0.29495300  1
  O  O70  1  0.94736500  0.38477400  0.20209600  1
  O  O71  1  0.20530400  0.30325800  0.40502300  1
  O  O72  1  0.68094900  0.33194300  0.30684400  1
  O  O73  1  0.42961300  0.27073900  0.51903200  1
  O  O74  1  0.93664400  0.20989700  0.46611800  1
  O  O75  1  0.19212400  0.15901700  0.70062100  1
  O  O76  1  0.71253100  0.17990500  0.58820600  1
  O  O77  1  0.45709100  0.12869800  0.78430200  1
  O  O78  1  0.06199700  0.06935300  0.89151600  1
  O  O79  1  0.93400100  0.13276900  0.69683000  1
  O  O80  1  0.73705500  0.02362000  0.91181000  1
  O  O81  1  0.33920700  0.23308100  0.00387400  1
  O  O82  1  0.17072700  0.18856700  0.17746500  1
  O  O83  1  0.41036800  0.09876400  0.21435400  1
  O  O84  1  0.66027400  0.12017300  0.14992400  1
  O  O85  1  0.91837300  0.08791900  0.27291100  1
  O  O86  1  0.16654400  0.01770700  0.44507400  1
  O  O87  1  0.58625900  0.02793400  0.37217000  1
