# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75146700
_cell_length_b   9.75416654
_cell_length_c   11.17259618
_cell_angle_alpha   90.17062521
_cell_angle_beta   101.77541046
_cell_angle_gamma   90.22548505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1040.32821492
_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  0.59356900  0.60852100  0.02616500  1
  Li  Li1  1  0.66156200  0.91468500  0.54006700  1
  Li  Li2  1  0.61111100  0.22203600  0.44949800  1
  Li  Li3  1  0.41416200  0.39514500  0.97350600  1
  Li  Li4  1  0.35197300  0.09391200  0.95356500  1
  Li  Li5  1  0.08455900  0.90213600  0.02547100  1
  Li  Li6  1  0.16059700  0.58014900  0.53474000  1
  Li  Li7  1  0.10911400  0.28390500  0.45092600  1
  Mn  Mn8  1  0.79791400  0.92255300  0.32624800  1
  Mn  Mn9  1  0.74504200  0.20933600  0.16984200  1
  Mn  Mn10  1  0.77881900  0.72373100  0.83317200  1
  Mn  Mn11  1  0.69520900  0.42915200  0.66977600  1
  Mn  Mn12  1  0.29641800  0.57321200  0.32181400  1
  Mn  Mn13  1  0.22566400  0.27900200  0.16376600  1
  Mn  Mn14  1  0.27037800  0.78460700  0.83024500  1
  Mn  Mn15  1  0.19309200  0.07112500  0.66591500  1
  P  P16  1  0.97317800  0.44587200  0.24672100  1
  P  P17  1  0.88580600  0.71199400  0.11641400  1
  P  P18  1  0.93591800  0.92985600  0.75676500  1
  P  P19  1  0.86895100  0.15263400  0.57486000  1
  P  P20  1  0.61959500  0.64043700  0.42750100  1
  P  P21  1  0.56318600  0.42477300  0.23995600  1
  P  P22  1  0.47601400  0.05522600  0.24353400  1
  P  P23  1  0.62307800  0.21035600  0.88463200  1
  P  P24  1  0.38321600  0.79142700  0.11323200  1
  P  P25  1  0.53233900  0.93977700  0.75846000  1
  P  P26  1  0.43914200  0.56829200  0.75844300  1
  P  P27  1  0.36892100  0.34502000  0.57463200  1
  P  P28  1  0.12127400  0.85611400  0.42674700  1
  P  P29  1  0.06928900  0.07519300  0.24210900  1
  P  P30  1  0.11235100  0.28772000  0.88541600  1
  P  P31  1  0.03214100  0.56042600  0.75888400  1
  O  O32  1  0.97986400  0.41933000  0.37872500  1
  O  O33  1  0.96394300  0.85166100  0.43105900  1
  O  O34  1  0.92041200  0.08742700  0.26701200  1
  O  O35  1  0.88665900  0.34477000  0.15400400  1
  O  O36  1  0.90008400  0.59124000  0.21641400  1
  O  O37  1  0.81314600  0.82591400  0.17721700  1
  O  O38  1  0.77829600  0.65843700  0.00140100  1
  O  O39  1  0.97787100  0.25845100  0.92093600  1
  O  O40  1  0.87826600  0.07591100  0.70467600  1
  O  O41  1  0.93375300  0.91641700  0.88987900  1
  O  O42  1  0.88386400  0.55850300  0.79341100  1
  O  O43  1  0.79642200  0.28753300  0.58945600  1
  O  O44  1  0.82872800  0.82209900  0.68914300  1
  O  O45  1  0.77396900  0.06226200  0.47661900  1
  O  O46  1  0.70456000  0.55941000  0.53422800  1
  O  O47  1  0.66123000  0.30677700  0.29807200  1
  O  O48  1  0.67581500  0.78389600  0.41477000  1
  O  O49  1  0.63053200  0.04378100  0.21391600  1
  O  O50  1  0.63210700  0.56411300  0.30214000  1
  O  O51  1  0.56696100  0.43584900  0.10646200  1
  O  O52  1  0.52020400  0.76504600  0.07917700  1
  O  O53  1  0.72668200  0.15969200  0.99894300  1
  O  O54  1  0.68245500  0.32973500  0.82010400  1
  O  O55  1  0.60544600  0.08789500  0.78505600  1
  O  O56  1  0.58642100  0.58240600  0.72717900  1
  O  O57  1  0.62150200  0.83923600  0.84851000  1
  O  O58  1  0.47862800  0.09006800  0.37330600  1
  O  O59  1  0.51797200  0.33326400  0.55590700  1
  O  O60  1  0.46033900  0.64378700  0.42917200  1
  O  O61  1  0.52022400  0.91393400  0.62623500  1
  O  O62  1  0.38814600  0.14838100  0.14406800  1
  O  O63  1  0.41555900  0.40936000  0.26900100  1
  O  O64  1  0.40556700  0.90673900  0.22008100  1
  O  O65  1  0.31358000  0.67396900  0.16916600  1
  O  O66  1  0.27742100  0.85892000  0.00125000  1
  O  O67  1  0.47897600  0.23356100  0.91163200  1
  O  O68  1  0.43981500  0.56482700  0.89303200  1
  O  O69  1  0.37534600  0.42431700  0.70334700  1
  O  O70  1  0.38465500  0.94938700  0.79931400  1
  O  O71  1  0.30012200  0.20779400  0.59147400  1
  O  O72  1  0.33481500  0.68052500  0.69848400  1
  O  O73  1  0.27171700  0.43183700  0.47760900  1
  O  O74  1  0.20694400  0.93673200  0.53456400  1
  O  O75  1  0.16445400  0.19493700  0.30593200  1
  O  O76  1  0.17781500  0.71320700  0.41157900  1
  O  O77  1  0.12680000  0.45668900  0.21473900  1
  O  O78  1  0.08784100  0.07607600  0.11146700  1
  O  O79  1  0.13405300  0.93509600  0.30250400  1
  O  O80  1  0.02535400  0.74261300  0.08940900  1
  O  O81  1  0.23068600  0.33725600  0.99740400  1
  O  O82  1  0.18464700  0.16992400  0.82390300  1
  O  O83  1  0.10017700  0.40973700  0.78663500  1
  O  O84  1  0.12613800  0.65852400  0.85164200  1
  O  O85  1  0.08669400  0.91888000  0.72865800  1
  O  O86  1  0.01775500  0.16754600  0.55531300  1
  O  O87  1  0.02851200  0.58646200  0.62792300  1
