# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74508500
_cell_length_b   9.82504024
_cell_length_c   11.16766309
_cell_angle_alpha   77.88409814
_cell_angle_beta   89.73506478
_cell_angle_gamma   89.57425374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1045.40573770
_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  0.10923300  0.91369600  0.02306600  1
  Li  Li1  1  0.59123000  0.58770600  0.97599600  1
  Li  Li2  1  0.92230200  0.65942100  0.46415400  1
  Li  Li3  1  0.04856200  0.37039000  0.50893400  1
  Li  Li4  1  0.11409700  0.35537100  0.04295600  1
  Li  Li5  1  0.89148400  0.09409300  0.97464700  1
  Li  Li6  1  0.58031100  0.15152100  0.46812700  1
  Li  Li7  1  0.28297200  0.10416300  0.54913800  1
  Mn  Mn8  1  0.93200600  0.79689700  0.67366600  1
  Mn  Mn9  1  0.22852300  0.72735200  0.83850200  1
  Mn  Mn10  1  0.71310000  0.77276400  0.16962800  1
  Mn  Mn11  1  0.42302600  0.68897900  0.33783300  1
  Mn  Mn12  1  0.57179700  0.29754000  0.67588800  1
  Mn  Mn13  1  0.28814300  0.24165700  0.82805100  1
  Mn  Mn14  1  0.77267700  0.28368700  0.16406400  1
  Mn  Mn15  1  0.07310700  0.18635400  0.33172600  1
  P  P16  1  0.44714900  0.97729300  0.75337400  1
  P  P17  1  0.71414500  0.88062600  0.88288500  1
  P  P18  1  0.93351700  0.93611400  0.24321300  1
  P  P19  1  0.15448100  0.86453800  0.43049300  1
  P  P20  1  0.64103300  0.61883400  0.57166400  1
  P  P21  1  0.41881500  0.57176200  0.75434000  1
  P  P22  1  0.05362000  0.47685400  0.75507800  1
  P  P23  1  0.21188100  0.61930700  0.11952700  1
  P  P24  1  0.78505200  0.38636500  0.88229600  1
  P  P25  1  0.94091700  0.52856800  0.24465600  1
  P  P26  1  0.56880200  0.43353900  0.24411400  1
  P  P27  1  0.34798700  0.36784000  0.42464600  1
  P  P28  1  0.85682800  0.11730400  0.57732500  1
  P  P29  1  0.07597900  0.06636400  0.75993400  1
  P  P30  1  0.29158000  0.11627700  0.11495100  1
  P  P31  1  0.56327100  0.03151600  0.23972900  1
  O  O32  1  0.42473000  0.98534500  0.62019100  1
  O  O33  1  0.85290600  0.96326400  0.57082400  1
  O  O34  1  0.09154400  0.92054300  0.73297300  1
  O  O35  1  0.34417100  0.89699600  0.84453200  1
  O  O36  1  0.59264500  0.90234800  0.78325400  1
  O  O37  1  0.82807800  0.80916200  0.82039700  1
  O  O38  1  0.65942600  0.77274100  0.99721200  1
  O  O39  1  0.25908400  0.97597500  0.09371400  1
  O  O40  1  0.07470000  0.87075300  0.30129200  1
  O  O41  1  0.93857200  0.94063500  0.10768100  1
  O  O42  1  0.55678600  0.88551300  0.20261600  1
  O  O43  1  0.29229900  0.80204600  0.40966300  1
  O  O44  1  0.81966900  0.83319100  0.30178400  1
  O  O45  1  0.05863500  0.77730200  0.52760300  1
  O  O46  1  0.56316300  0.70271000  0.46169300  1
  O  O47  1  0.30123200  0.67085300  0.69442700  1
  O  O48  1  0.78442800  0.67297200  0.58525600  1
  O  O49  1  0.04452900  0.62648100  0.78651800  1
  O  O50  1  0.55988300  0.63478100  0.69436400  1
  O  O51  1  0.41751800  0.58854300  0.88689300  1
  O  O52  1  0.75022400  0.52427100  0.90987400  1
  O  O53  1  0.16473200  0.73091400  0.00412900  1
  O  O54  1  0.32566200  0.67965000  0.18683900  1
  O  O55  1  0.08310800  0.60855600  0.21303400  1
  O  O56  1  0.57512800  0.58164000  0.27218300  1
  O  O57  1  0.83334500  0.61811900  0.16271400  1
  O  O58  1  0.08340100  0.47640600  0.62470600  1
  O  O59  1  0.33293600  0.51406700  0.44332100  1
  O  O60  1  0.64348700  0.46074700  0.57092600  1
  O  O61  1  0.92699900  0.51065900  0.38107000  1
  O  O62  1  0.15020700  0.38671300  0.85282500  1
  O  O63  1  0.40807600  0.42224800  0.73338800  1
  O  O64  1  0.90722400  0.40381000  0.78274800  1
  O  O65  1  0.67444700  0.31008600  0.82516600  1
  O  O66  1  0.84861600  0.28336900  0.99823300  1
  O  O67  1  0.23536800  0.48140700  0.08789400  1
  O  O68  1  0.58498700  0.42997100  0.11063500  1
  O  O69  1  0.42398800  0.36858500  0.29512500  1
  O  O70  1  0.94769400  0.38521300  0.20182800  1
  O  O71  1  0.20621800  0.30054000  0.41191700  1
  O  O72  1  0.68086100  0.32965700  0.31053200  1
  O  O73  1  0.43403400  0.27006800  0.52327200  1
  O  O74  1  0.94624400  0.20541700  0.47408100  1
  O  O75  1  0.18910500  0.16843700  0.69474200  1
  O  O76  1  0.71424000  0.17660900  0.58753700  1
  O  O77  1  0.45683700  0.13259300  0.78264300  1
  O  O78  1  0.07145300  0.07607800  0.89313600  1
  O  O79  1  0.93244300  0.13151900  0.70248300  1
  O  O80  1  0.74639200  0.01721100  0.91193400  1
  O  O81  1  0.33584900  0.22528400  0.99938100  1
  O  O82  1  0.17290200  0.19014500  0.17538000  1
  O  O83  1  0.41425700  0.10458300  0.21113800  1
  O  O84  1  0.66419200  0.12208000  0.14978300  1
  O  O85  1  0.92046200  0.08327500  0.27487000  1
  O  O86  1  0.16838200  0.01507300  0.44485800  1
  O  O87  1  0.58618100  0.02364100  0.37217800  1
