# generated using pymatgen
data_Li3Mn4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65331825
_cell_length_b   9.61094750
_cell_length_c   11.16879723
_cell_angle_alpha   90.09918411
_cell_angle_beta   101.55915566
_cell_angle_gamma   88.63118385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn4(P2O7)4
_chemical_formula_sum   'Li6 Mn8 P16 O56'
_cell_volume   1014.90271231
_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  0.15287800  0.43961900  0.53130500  1
  Li  Li1  1  0.39612600  0.95877300  0.50083000  1
  Li  Li2  1  0.58079600  0.40524300  0.02189800  1
  Li  Li3  1  0.91248700  0.90413300  0.98087300  1
  Li  Li4  1  0.82171300  0.58882400  0.45072700  1
  Li  Li5  1  0.87877500  0.28353700  0.54540300  1
  Mn  Mn6  1  0.19616500  0.92925600  0.67222400  1
  Mn  Mn7  1  0.27938700  0.22851000  0.84097300  1
  Mn  Mn8  1  0.22279600  0.72823100  0.16008500  1
  Mn  Mn9  1  0.30484800  0.42988100  0.32722500  1
  Mn  Mn10  1  0.69806000  0.57432300  0.67853700  1
  Mn  Mn11  1  0.77340400  0.27434000  0.83954800  1
  Mn  Mn12  1  0.72056800  0.77187800  0.16094200  1
  Mn  Mn13  1  0.80487200  0.06796600  0.32928200  1
  P  P14  1  0.02018400  0.44487700  0.75686400  1
  P  P15  1  0.11554100  0.71922000  0.87527500  1
  P  P16  1  0.07454400  0.92628000  0.24757800  1
  P  P17  1  0.13083100  0.15038800  0.42676700  1
  P  P18  1  0.37651100  0.65061900  0.58168500  1
  P  P19  1  0.42622400  0.42069400  0.75342300  1
  P  P20  1  0.52016400  0.05290900  0.74525400  1
  P  P21  1  0.38301800  0.21559100  0.12344200  1
  P  P22  1  0.60870200  0.78485200  0.88368000  1
  P  P23  1  0.47336100  0.93584400  0.24332600  1
  P  P24  1  0.57019700  0.57301900  0.24040200  1
  P  P25  1  0.62585100  0.34753300  0.41712000  1
  P  P26  1  0.87324000  0.85579900  0.57143300  1
  P  P27  1  0.92727900  0.07136500  0.75651200  1
  P  P28  1  0.88659400  0.27807200  0.11904400  1
  P  P29  1  0.98060900  0.55052800  0.25181700  1
  O  O30  1  0.01050600  0.42079000  0.62177400  1
  O  O31  1  0.03535900  0.84620400  0.57768800  1
  O  O32  1  0.08043300  0.07240300  0.73203700  1
  O  O33  1  0.10261800  0.33506900  0.84307500  1
  O  O34  1  0.10158900  0.58684300  0.78473700  1
  O  O35  1  0.20246000  0.82169100  0.81144400  1
  O  O36  1  0.20807900  0.66639000  0.99717600  1
  O  O37  1  0.02385300  0.23678200  0.09106500  1
  O  O38  1  0.13875400  0.07125600  0.30083000  1
  O  O39  1  0.07850800  0.90818900  0.11274500  1
  O  O40  1  0.13572400  0.54515500  0.22348200  1
  O  O41  1  0.18987700  0.29544500  0.41271400  1
  O  O42  1  0.17711100  0.80837500  0.30936100  1
  O  O43  1  0.21516000  0.05786500  0.52956900  1
  O  O44  1  0.29445900  0.56231500  0.47734500  1
  O  O45  1  0.31726500  0.31364200  0.68813800  1
  O  O46  1  0.31909300  0.79950300  0.59475900  1
  O  O47  1  0.36626100  0.04890600  0.77985000  1
  O  O48  1  0.36064300  0.57114100  0.70532100  1
  O  O49  1  0.41844100  0.39965800  0.88738000  1
  O  O50  1  0.46954400  0.75380000  0.90948900  1
  O  O51  1  0.28759500  0.16721100  0.00197900  1
  O  O52  1  0.29658500  0.32309200  0.18755200  1
  O  O53  1  0.39803100  0.08621700  0.21527200  1
  O  O54  1  0.41786600  0.57760100  0.26572700  1
  O  O55  1  0.38675500  0.83501400  0.15128900  1
  O  O56  1  0.51208700  0.06615800  0.61173900  1
  O  O57  1  0.46830000  0.33952400  0.42015000  1
  O  O58  1  0.53476400  0.65767000  0.57849800  1
  O  O59  1  0.48016100  0.90867500  0.37494700  1
  O  O60  1  0.60501000  0.16051500  0.83044200  1
  O  O61  1  0.57626300  0.41343400  0.72774300  1
  O  O62  1  0.60157800  0.90786600  0.78579500  1
  O  O63  1  0.68593600  0.66658800  0.82266300  1
  O  O64  1  0.72258700  0.83406800  0.99861200  1
  O  O65  1  0.52491400  0.26135800  0.11123500  1
  O  O66  1  0.58629600  0.58218800  0.10891400  1
  O  O67  1  0.64022500  0.42821200  0.29485800  1
  O  O68  1  0.62402300  0.94280300  0.20697200  1
  O  O69  1  0.69470500  0.20506000  0.40694600  1
  O  O70  1  0.67091500  0.68512900  0.30844200  1
  O  O71  1  0.71393700  0.43265900  0.52201700  1
  O  O72  1  0.79445800  0.93677600  0.46007600  1
  O  O73  1  0.84050000  0.20056000  0.69543800  1
  O  O74  1  0.81723700  0.71118000  0.58623000  1
  O  O75  1  0.86544800  0.45872400  0.78606400  1
  O  O76  1  0.90846500  0.07620300  0.88724300  1
  O  O77  1  0.85155800  0.93936800  0.69087200  1
  O  O78  1  0.97138800  0.76966600  0.88267000  1
  O  O79  1  0.77178100  0.33127800  0.00378100  1
  O  O80  1  0.81009500  0.17175000  0.18795800  1
  O  O81  1  0.90064000  0.40971400  0.21073000  1
  O  O82  1  0.89707400  0.66370600  0.16800000  1
  O  O83  1  0.92358800  0.92387200  0.27398500  1
  O  O84  1  0.97506300  0.16749800  0.43625300  1
  O  O85  1  0.98505100  0.56098800  0.38676500  1
