# generated using pymatgen
data_Mn9(P2O7)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74426600
_cell_length_b   10.94162725
_cell_length_c   12.62267653
_cell_angle_alpha   100.77172997
_cell_angle_beta   110.66563162
_cell_angle_gamma   108.15083064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn9(P2O7)8
_chemical_formula_sum   'Mn9 P16 O56'
_cell_volume   1127.89674508
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.74338100  0.75511600  0.80999300  1.0
  Mn  Mn1  1  0.61871300  0.22723300  0.42573000  1.0
  Mn  Mn2  1  0.25659400  0.27475000  0.69937900  1.0
  Mn  Mn3  1  0.37999600  0.77754600  0.08598800  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn5  1  0.62000400  0.22245400  0.91401200  1.0
  Mn  Mn6  1  0.74340600  0.72525000  0.30062100  1.0
  Mn  Mn7  1  0.38128700  0.77276700  0.57427000  1.0
  Mn  Mn8  1  0.25661900  0.24488400  0.19000700  1.0
  P  P9  1  0.10846300  0.79437700  0.84512700  1.0
  P  P10  1  0.32804500  0.54019400  0.61324200  1.0
  P  P11  1  0.28451700  0.97190400  0.24161000  1.0
  P  P12  1  0.34436900  0.29454400  0.47885900  1.0
  P  P13  1  0.88882200  0.19923100  0.65467600  1.0
  P  P14  1  0.64142700  0.46729400  0.85727600  1.0
  P  P15  1  0.73697600  0.04790400  0.27719800  1.0
  P  P16  1  0.36052300  0.29878900  0.98224700  1.0
  P  P17  1  0.63947700  0.70121100  0.01775300  1.0
  P  P18  1  0.26302400  0.95209600  0.72280200  1.0
  P  P19  1  0.35857300  0.53270600  0.14272400  1.0
  P  P20  1  0.11117800  0.80076900  0.34532400  1.0
  P  P21  1  0.65563100  0.70545600  0.52114100  1.0
  P  P22  1  0.71548300  0.02809600  0.75839000  1.0
  P  P23  1  0.67195500  0.45980600  0.38675800  1.0
  P  P24  1  0.89153700  0.20562300  0.15487300  1.0
  O  O25  1  0.99133600  0.81550400  0.89232700  1.0
  O  O26  1  0.27548500  0.83367600  0.94404900  1.0
  O  O27  1  0.04129100  0.65060200  0.75726600  1.0
  O  O28  1  0.47272000  0.68526300  0.69120200  1.0
  O  O29  1  0.77775400  0.41523000  0.48216200  1.0
  O  O30  1  0.73164500  0.78713700  0.96287800  1.0
  O  O31  1  0.47869900  0.70905700  0.99644400  1.0
  O  O32  1  0.23296600  0.05836700  0.16802900  1.0
  O  O33  1  0.25991400  0.46355400  0.68232500  1.0
  O  O34  1  0.40104600  0.45366100  0.54966000  1.0
  O  O35  1  0.97360200  0.33682500  0.74771400  1.0
  O  O36  1  0.73728200  0.18133600  0.34249300  1.0
  O  O37  1  0.70448100  0.56363500  0.79602900  1.0
  O  O38  1  0.58639900  0.54413200  0.94436900  1.0
  O  O39  1  0.24629400  0.26521800  0.34576200  1.0
  O  O40  1  0.45222500  0.04684900  0.34815700  1.0
  O  O41  1  0.72799100  0.16669300  0.54997600  1.0
  O  O42  1  0.86391200  0.09461800  0.22422500  1.0
  O  O43  1  0.57587600  0.94765100  0.17712200  1.0
  O  O44  1  0.00985000  0.16659600  0.60595100  1.0
  O  O45  1  0.23633600  0.21504800  0.53018500  1.0
  O  O46  1  0.50213500  0.27544300  0.51231400  1.0
  O  O47  1  0.26684800  0.83640300  0.16578000  1.0
  O  O48  1  0.25016600  0.26835600  0.84997800  1.0
  O  O49  1  0.48709600  0.33594700  0.76827500  1.0
  O  O50  1  0.75525400  0.41135100  0.92866600  1.0
  O  O51  1  0.84480600  0.07331200  0.70510000  1.0
  O  O52  1  0.80858300  0.97415000  0.36176300  1.0
  O  O53  1  0.19141700  0.02585000  0.63823700  1.0
  O  O54  1  0.15519400  0.92668800  0.29490000  1.0
  O  O55  1  0.24474600  0.58864900  0.07133400  1.0
  O  O56  1  0.51290400  0.66405300  0.23172500  1.0
  O  O57  1  0.74983400  0.73164400  0.15002200  1.0
  O  O58  1  0.73315200  0.16359700  0.83422000  1.0
  O  O59  1  0.49786500  0.72455700  0.48768600  1.0
  O  O60  1  0.76366400  0.78495200  0.46981500  1.0
  O  O61  1  0.99015000  0.83340400  0.39404900  1.0
  O  O62  1  0.42412400  0.05234900  0.82287800  1.0
  O  O63  1  0.13608800  0.90538200  0.77577500  1.0
  O  O64  1  0.27200900  0.83330700  0.45002400  1.0
  O  O65  1  0.54777500  0.95315100  0.65184300  1.0
  O  O66  1  0.75370600  0.73478200  0.65423800  1.0
  O  O67  1  0.41360100  0.45586800  0.05563100  1.0
  O  O68  1  0.29551900  0.43636500  0.20397100  1.0
  O  O69  1  0.26271800  0.81866400  0.65750700  1.0
  O  O70  1  0.02639800  0.66317500  0.25228600  1.0
  O  O71  1  0.59895400  0.54633900  0.45034000  1.0
  O  O72  1  0.74008600  0.53644600  0.31767500  1.0
  O  O73  1  0.76703400  0.94163300  0.83197100  1.0
  O  O74  1  0.52130100  0.29094300  0.00355600  1.0
  O  O75  1  0.26835500  0.21286300  0.03712200  1.0
  O  O76  1  0.22224600  0.58477000  0.51783800  1.0
  O  O77  1  0.52728000  0.31473700  0.30879800  1.0
  O  O78  1  0.95870900  0.34939800  0.24273400  1.0
  O  O79  1  0.72451500  0.16632400  0.05595100  1.0
  O  O80  1  0.00866400  0.18449600  0.10767300  1.0