# generated using pymatgen
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95108200
_cell_length_b   10.00670400
_cell_length_c   11.32788497
_cell_angle_alpha   77.47943188
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnP2O7
_chemical_formula_sum   'Li16 Mn8 P16 O56'
_cell_volume   1101.17694329
_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  0.60786700  0.58503500  0.97153700  1
  Li  Li1  1  0.21916500  0.61125500  0.55232600  1
  Li  Li2  1  0.89213300  0.08503500  0.97153700  1
  Li  Li3  1  0.78083500  0.38874500  0.44767400  1
  Li  Li4  1  0.71916500  0.88874500  0.44767400  1
  Li  Li5  1  0.58095000  0.17450000  0.44937400  1
  Li  Li6  1  0.28083500  0.11125500  0.55232600  1
  Li  Li7  1  0.41905000  0.82550000  0.55062600  1
  Li  Li8  1  0.39213300  0.41496500  0.02846300  1
  Li  Li9  1  0.40923500  0.84577000  0.04314200  1
  Li  Li10  1  0.59076500  0.15423000  0.95685800  1
  Li  Li11  1  0.10786700  0.91496500  0.02846300  1
  Li  Li12  1  0.08095000  0.32550000  0.55062600  1
  Li  Li13  1  0.91905000  0.67450000  0.44937400  1
  Li  Li14  1  0.90923500  0.65423000  0.95685800  1
  Li  Li15  1  0.09076500  0.34577000  0.04314200  1
  Mn  Mn16  1  0.08067700  0.20211400  0.32442900  1
  Mn  Mn17  1  0.71360500  0.75389000  0.17799500  1
  Mn  Mn18  1  0.58067700  0.29788600  0.67557100  1
  Mn  Mn19  1  0.78639500  0.25389000  0.17799500  1
  Mn  Mn20  1  0.28639500  0.24611000  0.82200500  1
  Mn  Mn21  1  0.41932300  0.70211400  0.32442900  1
  Mn  Mn22  1  0.91932300  0.79788600  0.67557100  1
  Mn  Mn23  1  0.21360500  0.74611000  0.82200500  1
  P  P24  1  0.45333900  0.97380700  0.76245500  1
  P  P25  1  0.70285500  0.88076300  0.89189700  1
  P  P26  1  0.85064800  0.12343000  0.57169900  1
  P  P27  1  0.95333900  0.52619300  0.23754500  1
  P  P28  1  0.79714500  0.38076300  0.89189700  1
  P  P29  1  0.56689800  0.44070800  0.24468300  1
  P  P30  1  0.35064800  0.37657000  0.42830100  1
  P  P31  1  0.20285500  0.61923700  0.10810300  1
  P  P32  1  0.29714500  0.11923700  0.10810300  1
  P  P33  1  0.93310200  0.94070800  0.24468300  1
  P  P34  1  0.43310200  0.55929200  0.75531700  1
  P  P35  1  0.04666100  0.47380700  0.76245500  1
  P  P36  1  0.06689800  0.05929200  0.75531700  1
  P  P37  1  0.14935200  0.87657000  0.42830100  1
  P  P38  1  0.64935200  0.62343000  0.57169900  1
  P  P39  1  0.54666100  0.02619300  0.23754500  1
  O  O40  1  0.91308800  0.52494300  0.36729700  1
  O  O41  1  0.17005300  0.16404700  0.68593700  1
  O  O42  1  0.91246600  0.08467700  0.26987900  1
  O  O43  1  0.77711600  0.51790800  0.92491900  1
  O  O44  1  0.46566400  0.12034200  0.78809300  1
  O  O45  1  0.66014700  0.47829800  0.55099700  1
  O  O46  1  0.82757300  0.81688800  0.84754600  1
  O  O47  1  0.16014700  0.02170200  0.44900300  1
  O  O48  1  0.82994700  0.83595300  0.31406300  1
  O  O49  1  0.60162500  0.90531000  0.77583700  1
  O  O50  1  0.96566400  0.37965800  0.21190700  1
  O  O51  1  0.72288400  0.01790800  0.92491900  1
  O  O52  1  0.06193500  0.77535900  0.51789600  1
  O  O53  1  0.08753400  0.91532300  0.73012100  1
  O  O54  1  0.22288400  0.48209200  0.07508100  1
  O  O55  1  0.17242700  0.18311200  0.15245400  1
  O  O56  1  0.41932000  0.38798600  0.29599200  1
  O  O57  1  0.39837500  0.09469000  0.22416300  1
  O  O58  1  0.43806500  0.27535900  0.51789600  1
  O  O59  1  0.67242700  0.31688800  0.84754600  1
  O  O60  1  0.53433600  0.87965800  0.21190700  1
  O  O61  1  0.67005300  0.33595300  0.31406300  1
  O  O62  1  0.10162500  0.59469000  0.22416300  1
  O  O63  1  0.08691200  0.47505700  0.63270300  1
  O  O64  1  0.71215900  0.18883200  0.57924300  1
  O  O65  1  0.41246600  0.41532300  0.73012100  1
  O  O66  1  0.58068000  0.61201400  0.70400800  1
  O  O67  1  0.21215900  0.31116800  0.42075700  1
  O  O68  1  0.41308800  0.97505700  0.63270300  1
  O  O69  1  0.32994700  0.66404700  0.68593700  1
  O  O70  1  0.56193500  0.72464100  0.48210400  1
  O  O71  1  0.86463100  0.61639100  0.14109700  1
  O  O72  1  0.13224400  0.72277200  0.00359900  1
  O  O73  1  0.93806500  0.22464100  0.48210400  1
  O  O74  1  0.78784100  0.68883200  0.57924300  1
  O  O75  1  0.83985300  0.97829800  0.55099700  1
  O  O76  1  0.63224400  0.77722800  0.99640100  1
  O  O77  1  0.56367000  0.43656800  0.11194700  1
  O  O78  1  0.36463100  0.88360900  0.85890300  1
  O  O79  1  0.58753400  0.58467700  0.26987900  1
  O  O80  1  0.27711600  0.98209200  0.07508100  1
  O  O81  1  0.03433600  0.62034200  0.78809300  1
  O  O82  1  0.06367000  0.06343200  0.88805300  1
  O  O83  1  0.28784100  0.81116800  0.42075700  1
  O  O84  1  0.63536900  0.11639100  0.14109700  1
  O  O85  1  0.86775600  0.27722800  0.99640100  1
  O  O86  1  0.89837500  0.40531000  0.77583700  1
  O  O87  1  0.33985300  0.52170200  0.44900300  1
  O  O88  1  0.58691200  0.02494300  0.36729700  1
  O  O89  1  0.43633000  0.56343200  0.88805300  1
  O  O90  1  0.93633000  0.93656800  0.11194700  1
  O  O91  1  0.32757300  0.68311200  0.15245400  1
  O  O92  1  0.08068000  0.88798600  0.29599200  1
  O  O93  1  0.91932000  0.11201400  0.70400800  1
  O  O94  1  0.13536900  0.38360900  0.85890300  1
  O  O95  1  0.36775600  0.22277200  0.00359900  1
