# generated using pymatgen
data_Li3Mn4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76354903
_cell_length_b   9.76086677
_cell_length_c   11.25350952
_cell_angle_alpha   90.00968389
_cell_angle_beta   101.19400546
_cell_angle_gamma   90.00931085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn4(P2O7)4
_chemical_formula_sum   'Li6 Mn8 P16 O56'
_cell_volume   1052.06412757
_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  0.41091800  0.59414600  0.97900200  1
  Li  Li1  1  0.33494900  0.90994500  0.45851700  1
  Li  Li2  1  0.39380900  0.21593700  0.54818800  1
  Li  Li3  1  0.91085300  0.90597800  0.97903200  1
  Li  Li4  1  0.83523200  0.58990300  0.45856000  1
  Li  Li5  1  0.89377300  0.28370000  0.54846500  1
  Mn  Mn6  1  0.20279100  0.92474000  0.67362200  1
  Mn  Mn7  1  0.25354300  0.21297600  0.82674500  1
  Mn  Mn8  1  0.21643400  0.72877600  0.16423200  1
  Mn  Mn9  1  0.30547600  0.43247000  0.33498700  1
  Mn  Mn10  1  0.70260000  0.57470300  0.67320200  1
  Mn  Mn11  1  0.75333000  0.28683600  0.82668100  1
  Mn  Mn12  1  0.71620800  0.77140500  0.16391800  1
  Mn  Mn13  1  0.80576000  0.06798600  0.33510800  1
  P  P14  1  0.02267700  0.44391100  0.75590200  1
  P  P15  1  0.11453700  0.71354600  0.88255600  1
  P  P16  1  0.06506700  0.93172300  0.24499200  1
  P  P17  1  0.13378100  0.15386400  0.42384300  1
  P  P18  1  0.37979400  0.63968200  0.57299000  1
  P  P19  1  0.42944700  0.42289000  0.76036900  1
  P  P20  1  0.52268500  0.05562700  0.75562700  1
  P  P21  1  0.38006200  0.21365800  0.12117000  1
  P  P22  1  0.61466100  0.78597900  0.88209600  1
  P  P23  1  0.46993500  0.93811000  0.24149200  1
  P  P24  1  0.56496500  0.56866600  0.24514300  1
  P  P25  1  0.63369600  0.34664200  0.42423600  1
  P  P26  1  0.88006800  0.86027900  0.57305800  1
  P  P27  1  0.92965600  0.07692700  0.76047000  1
  P  P28  1  0.87991300  0.28660300  0.12119700  1
  P  P29  1  0.96986600  0.56229000  0.24134800  1
  O  O30  1  0.02116700  0.41800300  0.62527300  1
  O  O31  1  0.03739600  0.85902200  0.56840200  1
  O  O32  1  0.08039300  0.08740900  0.73589300  1
  O  O33  1  0.10606300  0.34086000  0.84717200  1
  O  O34  1  0.09633800  0.58822300  0.78765700  1
  O  O35  1  0.19258600  0.82157600  0.82022200  1
  O  O36  1  0.21777100  0.66124700  0.99839500  1
  O  O37  1  0.02084000  0.24600500  0.09165100  1
  O  O38  1  0.12649600  0.07813700  0.29400000  1
  O  O39  1  0.06849500  0.91495700  0.11212400  1
  O  O40  1  0.11802200  0.55959900  0.20652000  1
  O  O41  1  0.20497800  0.29045300  0.41063800  1
  O  O42  1  0.17105700  0.82345500  0.31081200  1
  O  O43  1  0.22903700  0.06420700  0.51966300  1
  O  O44  1  0.29340900  0.56308000  0.46473300  1
  O  O45  1  0.33637700  0.30307600  0.69646800  1
  O  O46  1  0.32539500  0.78351000  0.58763100  1
  O  O47  1  0.36808200  0.04461500  0.78467400  1
  O  O48  1  0.36427100  0.56025600  0.69435100  1
  O  O49  1  0.41154700  0.42827900  0.88918500  1
  O  O50  1  0.47538200  0.74692500  0.90500400  1
  O  O51  1  0.29092300  0.16224200  0.00145500  1
  O  O52  1  0.31383800  0.32679100  0.18554000  1
  O  O53  1  0.40270600  0.08998500  0.21531500  1
  O  O54  1  0.41593300  0.57758700  0.27304300  1
  O  O55  1  0.37758100  0.84086300  0.15151700  1
  O  O56  1  0.52101800  0.08163500  0.62501000  1
  O  O57  1  0.48468600  0.33376400  0.44308400  1
  O  O58  1  0.53697000  0.64068200  0.56810300  1
  O  O59  1  0.47379700  0.91505800  0.37242800  1
  O  O60  1  0.60612700  0.15868300  0.84688900  1
  O  O61  1  0.58020700  0.41220800  0.73591100  1
  O  O62  1  0.59657600  0.91143400  0.78733700  1
  O  O63  1  0.69313900  0.67815900  0.81976200  1
  O  O64  1  0.71774500  0.83852900  0.99800000  1
  O  O65  1  0.52098400  0.25400800  0.09150100  1
  O  O66  1  0.56837100  0.58487500  0.11227000  1
  O  O67  1  0.62670600  0.42250400  0.29455500  1
  O  O68  1  0.61801700  0.94070600  0.20654000  1
  O  O69  1  0.70519300  0.21023400  0.41109500  1
  O  O70  1  0.67088100  0.67713400  0.31075600  1
  O  O71  1  0.72891300  0.43635600  0.52028100  1
  O  O72  1  0.79403800  0.93737400  0.46493500  1
  O  O73  1  0.83637200  0.19648600  0.69644500  1
  O  O74  1  0.82532500  0.71652500  0.58725600  1
  O  O75  1  0.86811600  0.45476800  0.78493800  1
  O  O76  1  0.91175500  0.07179800  0.88929500  1
  O  O77  1  0.86467700  0.93933600  0.69461100  1
  O  O78  1  0.97539300  0.75264900  0.90567200  1
  O  O79  1  0.79065000  0.33754900  0.00144800  1
  O  O80  1  0.81364500  0.17360200  0.18572800  1
  O  O81  1  0.90277600  0.41031200  0.21532800  1
  O  O82  1  0.87733500  0.65914700  0.15124200  1
  O  O83  1  0.91603900  0.92281000  0.27285000  1
  O  O84  1  0.98478900  0.16683300  0.44282600  1
  O  O85  1  0.97373600  0.58572200  0.37224300  1
