# generated using pymatgen
data_LiMn5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35247500
_cell_length_b   10.98116958
_cell_length_c   12.62336216
_cell_angle_alpha   86.09713475
_cell_angle_beta   107.21499679
_cell_angle_gamma   114.93449212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn5(P2O7)4
_chemical_formula_sum   'Li2 Mn10 P16 O56'
_cell_volume   1120.51883876
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn2  1  0.09929700  0.71587400  0.11448200  1
  Mn  Mn3  1  0.84658900  0.01753400  0.23875200  1
  Mn  Mn4  1  0.49162900  0.75088300  0.07007000  1
  Mn  Mn5  1  0.50837100  0.24911700  0.92993000  1
  Mn  Mn6  1  0.15341100  0.98246600  0.76124800  1
  Mn  Mn7  1  0.90070300  0.28412600  0.88551800  1
  Mn  Mn8  1  0.10870900  0.71342500  0.61175200  1
  Mn  Mn9  1  0.50415200  0.76061800  0.57165800  1
  Mn  Mn10  1  0.49584800  0.23938200  0.42834200  1
  Mn  Mn11  1  0.89129100  0.28657500  0.38824800  1
  P  P12  1  0.55313400  0.19941600  0.18785100  1
  P  P13  1  0.18439500  0.45767500  0.09701700  1
  P  P14  1  0.80508800  0.70674400  0.21166300  1
  P  P15  1  0.29918200  0.95229300  0.03945100  1
  P  P16  1  0.70081800  0.04770700  0.96054900  1
  P  P17  1  0.19491200  0.29325600  0.78833700  1
  P  P18  1  0.81560500  0.54232500  0.90298300  1
  P  P19  1  0.44686600  0.80058400  0.81214900  1
  P  P20  1  0.55238400  0.19525400  0.69011600  1
  P  P21  1  0.19480400  0.45913300  0.59556300  1
  P  P22  1  0.82081800  0.70277500  0.70458300  1
  P  P23  1  0.30484200  0.95572400  0.54638100  1
  P  P24  1  0.69515800  0.04427600  0.45361900  1
  P  P25  1  0.17918200  0.29722500  0.29541700  1
  P  P26  1  0.80519600  0.54086700  0.40443700  1
  P  P27  1  0.44761600  0.80474600  0.30988400  1
  O  O28  1  0.07801200  0.15607700  0.24278600  1
  O  O29  1  0.26206600  0.40186100  0.21251600  1
  O  O30  1  0.53946500  0.79523100  0.22984300  1
  O  O31  1  0.10216700  0.54010600  0.12451800  1
  O  O32  1  0.73071200  0.20984700  0.24157000  1
  O  O33  1  0.14507400  0.90861100  0.07709100  1
  O  O34  1  0.45678500  0.04481100  0.13866200  1
  O  O35  1  0.92419300  0.65939100  0.18984600  1
  O  O36  1  0.05638600  0.32624500  0.02881300  1
  O  O37  1  0.33095200  0.53743900  0.05432400  1
  O  O38  1  0.32201300  0.82036000  0.03191200  1
  O  O39  1  0.65709400  0.67942100  0.10453100  1
  O  O40  1  0.53515100  0.28520400  0.08892700  1
  O  O41  1  0.69631400  0.96983900  0.06563800  1
  O  O42  1  0.30368600  0.03016100  0.93436200  1
  O  O43  1  0.46484900  0.71479600  0.91107300  1
  O  O44  1  0.34290600  0.32057900  0.89546900  1
  O  O45  1  0.67798700  0.17964000  0.96808800  1
  O  O46  1  0.66904800  0.46256100  0.94567600  1
  O  O47  1  0.94361400  0.67375500  0.97118700  1
  O  O48  1  0.07580700  0.34060900  0.81015400  1
  O  O49  1  0.54321500  0.95518900  0.86133800  1
  O  O50  1  0.85492600  0.09138900  0.92290900  1
  O  O51  1  0.26928800  0.79015300  0.75843000  1
  O  O52  1  0.12145100  0.15332900  0.73476800  1
  O  O53  1  0.89783300  0.45989400  0.87548200  1
  O  O54  1  0.46053500  0.20476900  0.77015700  1
  O  O55  1  0.27849600  0.40115300  0.70449400  1
  O  O56  1  0.73793400  0.59813900  0.78748400  1
  O  O57  1  0.52357900  0.77622300  0.72895800  1
  O  O58  1  0.12370700  0.54644800  0.63286300  1
  O  O59  1  0.73187500  0.22384600  0.74339100  1
  O  O60  1  0.15153200  0.91431800  0.59109700  1
  O  O61  1  0.92198800  0.84392300  0.75721400  1
  O  O62  1  0.46513100  0.03682400  0.64766500  1
  O  O63  1  0.04902600  0.32992700  0.53028100  1
  O  O64  1  0.92671200  0.64196700  0.67399500  1
  O  O65  1  0.30843600  0.81362700  0.53890600  1
  O  O66  1  0.33092100  0.53792900  0.54378400  1
  O  O67  1  0.67010200  0.68555100  0.60331000  1
  O  O68  1  0.52081600  0.27265900  0.58672800  1
  O  O69  1  0.68835100  0.96580100  0.55473200  1
  O  O70  1  0.31164900  0.03419900  0.44526800  1
  O  O71  1  0.47918400  0.72734100  0.41327200  1
  O  O72  1  0.32989800  0.31444900  0.39669000  1
  O  O73  1  0.66907900  0.46207100  0.45621600  1
  O  O74  1  0.69156400  0.18637300  0.46109400  1
  O  O75  1  0.07328800  0.35803300  0.32600500  1
  O  O76  1  0.95097400  0.67007300  0.46971900  1
  O  O77  1  0.53486900  0.96317600  0.35233500  1
  O  O78  1  0.84846800  0.08568200  0.40890300  1
  O  O79  1  0.26812500  0.77615400  0.25660900  1
  O  O80  1  0.87629300  0.45355200  0.36713700  1
  O  O81  1  0.47642100  0.22377700  0.27104200  1
  O  O82  1  0.72150400  0.59884700  0.29550600  1
  O  O83  1  0.87854900  0.84667100  0.26523200  1
