# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73686900
_cell_length_b   9.90475911
_cell_length_c   11.14920437
_cell_angle_alpha   79.10176496
_cell_angle_beta   89.70365301
_cell_angle_gamma   89.18822143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1055.74232607
_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  0.11392300  0.91923000  0.02161000  1
  Li  Li1  1  0.58438200  0.58941700  0.97971900  1
  Li  Li2  1  0.96674500  0.60261100  0.49973300  1
  Li  Li3  1  0.78749700  0.37573100  0.45287200  1
  Li  Li4  1  0.15066200  0.35489000  0.03523500  1
  Li  Li5  1  0.89096000  0.09446000  0.97855500  1
  Li  Li6  1  0.56264200  0.08684600  0.51062600  1
  Li  Li7  1  0.27255800  0.10436800  0.55094800  1
  Mn  Mn8  1  0.92901300  0.79759300  0.67037800  1
  Mn  Mn9  1  0.22728100  0.72445300  0.83913100  1
  Mn  Mn10  1  0.71679900  0.78957500  0.15906200  1
  Mn  Mn11  1  0.41761700  0.68462300  0.34369200  1
  Mn  Mn12  1  0.57048500  0.30207900  0.66940500  1
  Mn  Mn13  1  0.28675400  0.24327000  0.82558200  1
  Mn  Mn14  1  0.77406900  0.29278200  0.15732400  1
  Mn  Mn15  1  0.07711000  0.18645600  0.33900800  1
  P  P16  1  0.44313300  0.98171200  0.75639500  1
  P  P17  1  0.71335000  0.87812000  0.87794600  1
  P  P18  1  0.93446700  0.93908800  0.24396100  1
  P  P19  1  0.14828300  0.85989200  0.43562500  1
  P  P20  1  0.64565700  0.62194200  0.56557600  1
  P  P21  1  0.42054700  0.57385400  0.75114900  1
  P  P22  1  0.05052300  0.47851400  0.75048800  1
  P  P23  1  0.20977500  0.62525600  0.12296100  1
  P  P24  1  0.77853500  0.38444400  0.87417800  1
  P  P25  1  0.93248900  0.53909700  0.23452700  1
  P  P26  1  0.56702600  0.43677800  0.24433500  1
  P  P27  1  0.35304200  0.36094300  0.43060800  1
  P  P28  1  0.86037500  0.11923800  0.57217600  1
  P  P29  1  0.07368000  0.06386400  0.76206400  1
  P  P30  1  0.28961800  0.12054100  0.12015800  1
  P  P31  1  0.56773700  0.04105400  0.23480800  1
  O  O32  1  0.42372200  0.99287800  0.62103900  1
  O  O33  1  0.85435600  0.96765300  0.56565100  1
  O  O34  1  0.08352400  0.91559800  0.73994800  1
  O  O35  1  0.34110500  0.89805600  0.84222700  1
  O  O36  1  0.59088500  0.91036500  0.77959600  1
  O  O37  1  0.81793200  0.79786900  0.81232800  1
  O  O38  1  0.65444000  0.77756800  0.99124800  1
  O  O39  1  0.25611000  0.97996900  0.10360800  1
  O  O40  1  0.06849500  0.86418100  0.30772600  1
  O  O41  1  0.94397000  0.94009900  0.10835400  1
  O  O42  1  0.56015200  0.89956400  0.19164400  1
  O  O43  1  0.28690700  0.79591200  0.41726400  1
  O  O44  1  0.81139900  0.84826000  0.29468500  1
  O  O45  1  0.05726800  0.77237100  0.53387300  1
  O  O46  1  0.56263000  0.70619000  0.46113200  1
  O  O47  1  0.30049800  0.66849100  0.69212100  1
  O  O48  1  0.78834400  0.67496400  0.58232000  1
  O  O49  1  0.04369300  0.62483500  0.78777700  1
  O  O50  1  0.56070600  0.63185000  0.68977200  1
  O  O51  1  0.41586000  0.59744600  0.88286000  1
  O  O52  1  0.72654100  0.51755300  0.89818600  1
  O  O53  1  0.16418800  0.73176400  0.00645300  1
  O  O54  1  0.31751400  0.69028900  0.19320100  1
  O  O55  1  0.07896800  0.60987600  0.21537100  1
  O  O56  1  0.56638500  0.58440000  0.27091500  1
  O  O57  1  0.83229700  0.63234900  0.14917900  1
  O  O58  1  0.07413600  0.47831000  0.61902900  1
  O  O59  1  0.33220700  0.50725400  0.44490900  1
  O  O60  1  0.65351500  0.46612400  0.56016700  1
  O  O61  1  0.90297900  0.52332300  0.36917100  1
  O  O62  1  0.14918000  0.38764600  0.84454100  1
  O  O63  1  0.41274300  0.42203300  0.73680200  1
  O  O64  1  0.90351900  0.40773300  0.77935900  1
  O  O65  1  0.67878000  0.29790900  0.81223600  1
  O  O66  1  0.84036700  0.28717700  0.99045300  1
  O  O67  1  0.24315400  0.48882600  0.09259300  1
  O  O68  1  0.58042800  0.42953200  0.11083700  1
  O  O69  1  0.43195600  0.36172900  0.30179500  1
  O  O70  1  0.94147100  0.39707800  0.19088500  1
  O  O71  1  0.22331400  0.27778600  0.42053400  1
  O  O72  1  0.68975700  0.34537500  0.30606100  1
  O  O73  1  0.44467000  0.27267700  0.53165700  1
  O  O74  1  0.93875100  0.21118500  0.46665800  1
  O  O75  1  0.19229800  0.15668200  0.69992000  1
  O  O76  1  0.71782300  0.18499000  0.57965200  1
  O  O77  1  0.45240300  0.13331800  0.78896300  1
  O  O78  1  0.06634200  0.07954600  0.89413300  1
  O  O79  1  0.93637600  0.13331800  0.69672300  1
  O  O80  1  0.75843900  0.01007800  0.90775900  1
  O  O81  1  0.31781800  0.22828600  0.00186600  1
  O  O82  1  0.17650600  0.19598900  0.18598200  1
  O  O83  1  0.41993100  0.11545500  0.20642200  1
  O  O84  1  0.67027400  0.13056600  0.14822700  1
  O  O85  1  0.92928300  0.08651800  0.27392200  1
  O  O86  1  0.15951800  0.00854400  0.45227800  1
  O  O87  1  0.58991800  0.03317000  0.36716700  1
