# generated using pymatgen
data_Li2Mn7(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67202827
_cell_length_b   6.67202827
_cell_length_c   24.49121000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.39535416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn7(P2O7)4
_chemical_formula_sum   'Li4 Mn14 P16 O56'
_cell_volume   1081.18062355
_cell_formula_units_Z   2
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  0.66286300  0.03337400  0.20145400  1
  Li  Li1  1  0.96662600  0.33713700  0.29854600  1
  Li  Li2  1  0.03337400  0.66286300  0.79854600  1
  Li  Li3  1  0.33713700  0.96662600  0.70145400  1
  Mn  Mn4  1  0.33008400  0.03242500  0.36626300  1
  Mn  Mn5  1  0.07239500  0.07239500  0.50000000  1
  Mn  Mn6  1  0.71801300  0.28198700  0.75000000  1
  Mn  Mn7  1  0.57618300  0.29525400  0.11855600  1
  Mn  Mn8  1  0.30515400  0.30515400  0.00000000  1
  Mn  Mn9  1  0.03242500  0.33008400  0.63373700  1
  Mn  Mn10  1  0.70474600  0.42381700  0.38144400  1
  Mn  Mn11  1  0.29525400  0.57618300  0.88144400  1
  Mn  Mn12  1  0.96757500  0.66991600  0.13373700  1
  Mn  Mn13  1  0.69484600  0.69484600  0.50000000  1
  Mn  Mn14  1  0.42381700  0.70474600  0.61855600  1
  Mn  Mn15  1  0.28198700  0.71801300  0.25000000  1
  Mn  Mn16  1  0.92760500  0.92760500  0.00000000  1
  Mn  Mn17  1  0.66991600  0.96757500  0.86626300  1
  P  P18  1  0.17969700  0.07463500  0.87641600  1
  P  P19  1  0.59422700  0.18804500  0.49741500  1
  P  P20  1  0.51989200  0.23932600  0.62087400  1
  P  P21  1  0.07463500  0.17969700  0.12358400  1
  P  P22  1  0.29633700  0.21211600  0.23287200  1
  P  P23  1  0.21211600  0.29633700  0.76712800  1
  P  P24  1  0.81195500  0.40577300  0.00258500  1
  P  P25  1  0.76067400  0.48010800  0.87912600  1
  P  P26  1  0.23932600  0.51989200  0.37912600  1
  P  P27  1  0.18804500  0.59422700  0.50258500  1
  P  P28  1  0.78788400  0.70366300  0.26712800  1
  P  P29  1  0.70366300  0.78788400  0.73287200  1
  P  P30  1  0.92536500  0.82030300  0.62358400  1
  P  P31  1  0.48010800  0.76067400  0.12087400  1
  P  P32  1  0.40577300  0.81195500  0.99741500  1
  P  P33  1  0.82030300  0.92536500  0.37641600  1
  O  O34  1  0.74244400  0.02924500  0.49693700  1
  O  O35  1  0.42667700  0.02198400  0.62850400  1
  O  O36  1  0.67167300  0.08364800  0.36882200  1
  O  O37  1  0.28349600  0.03981700  0.27519800  1
  O  O38  1  0.02594800  0.01076100  0.40077200  1
  O  O39  1  0.01076100  0.02594800  0.59922800  1
  O  O40  1  0.38405700  0.10003000  0.47819900  1
  O  O41  1  0.13663400  0.12094400  0.18549500  1
  O  O42  1  0.12094400  0.13663400  0.81450500  1
  O  O43  1  0.97075500  0.25755600  0.00306300  1
  O  O44  1  0.39559800  0.20910900  0.74376700  1
  O  O45  1  0.70164900  0.28742400  0.84494300  1
  O  O46  1  0.71257600  0.29835100  0.65505700  1
  O  O47  1  0.50388600  0.25553300  0.20667300  1
  O  O48  1  0.91635200  0.32832700  0.13117800  1
  O  O49  1  0.59231700  0.27361800  0.55897200  1
  O  O50  1  0.61511200  0.32081400  0.03206000  1
  O  O51  1  0.28011800  0.26326100  0.90632700  1
  O  O52  1  0.26326100  0.28011800  0.09367300  1
  O  O53  1  0.67918600  0.38488800  0.46794000  1
  O  O54  1  0.03981700  0.28349600  0.72480200  1
  O  O55  1  0.72638200  0.40768300  0.94102800  1
  O  O56  1  0.38359300  0.36022600  0.37019300  1
  O  O57  1  0.36022600  0.38359300  0.62980700  1
  O  O58  1  0.10003000  0.38405700  0.52180100  1
  O  O59  1  0.20910900  0.39559800  0.25623300  1
  O  O60  1  0.74446700  0.49611400  0.29332700  1
  O  O61  1  0.02198400  0.42667700  0.37149600  1
  O  O62  1  0.97801600  0.57332300  0.87149600  1
  O  O63  1  0.25553300  0.50388600  0.79332700  1
  O  O64  1  0.79089100  0.60440200  0.75623300  1
  O  O65  1  0.89997000  0.61594300  0.02180100  1
  O  O66  1  0.63977400  0.61640700  0.12980700  1
  O  O67  1  0.61640700  0.63977400  0.87019300  1
  O  O68  1  0.27361800  0.59231700  0.44102800  1
  O  O69  1  0.96018300  0.71650400  0.22480200  1
  O  O70  1  0.32081400  0.61511200  0.96794000  1
  O  O71  1  0.73673900  0.71988200  0.59367300  1
  O  O72  1  0.71988200  0.73673900  0.40632700  1
  O  O73  1  0.38488800  0.67918600  0.53206000  1
  O  O74  1  0.40768300  0.72638200  0.05897200  1
  O  O75  1  0.08364800  0.67167300  0.63117800  1
  O  O76  1  0.49611400  0.74446700  0.70667300  1
  O  O77  1  0.28742400  0.70164900  0.15505700  1
  O  O78  1  0.29835100  0.71257600  0.34494300  1
  O  O79  1  0.60440200  0.79089100  0.24376700  1
  O  O80  1  0.02924500  0.74244400  0.50306300  1
  O  O81  1  0.87905600  0.86336600  0.31450500  1
  O  O82  1  0.86336600  0.87905600  0.68549500  1
  O  O83  1  0.61594300  0.89997000  0.97819900  1
  O  O84  1  0.98923900  0.97405200  0.09922800  1
  O  O85  1  0.97405200  0.98923900  0.90077200  1
  O  O86  1  0.71650400  0.96018300  0.77519800  1
  O  O87  1  0.32832700  0.91635200  0.86882200  1
  O  O88  1  0.57332300  0.97801600  0.12850400  1
  O  O89  1  0.25755600  0.97075500  0.99693700  1
