# generated using pymatgen
data_Li5Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75738500
_cell_length_b   9.77429376
_cell_length_c   11.13685114
_cell_angle_alpha   90.36782860
_cell_angle_beta   101.64342209
_cell_angle_gamma   90.15714559
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe4(P2O7)4
_chemical_formula_sum   'Li10 Fe8 P16 O56'
_cell_volume   1040.25237055
_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  0.09309300  0.10462300  0.02838600  1
  Li  Li1  1  0.41957700  0.60112200  0.97799100  1
  Li  Li2  1  0.32509500  0.91670700  0.45712900  1
  Li  Li3  1  0.38711500  0.21769100  0.54808400  1
  Li  Li4  1  0.61740200  0.79084300  0.45821900  1
  Li  Li5  1  0.84903300  0.58935800  0.95690800  1
  Li  Li6  1  0.64742700  0.09706500  0.04207100  1
  Li  Li7  1  0.90685200  0.89113700  0.97072000  1
  Li  Li8  1  0.85224900  0.57091300  0.47544800  1
  Li  Li9  1  0.88235300  0.28056200  0.54774100  1
  Fe  Fe10  1  0.20554800  0.91460600  0.67766700  1
  Fe  Fe11  1  0.25487000  0.21368600  0.82695600  1
  Fe  Fe12  1  0.25147300  0.70596000  0.17751700  1
  Fe  Fe13  1  0.29323000  0.42626900  0.33019300  1
  Fe  Fe14  1  0.70191100  0.57782600  0.67655700  1
  Fe  Fe15  1  0.74475200  0.29583600  0.82620000  1
  Fe  Fe16  1  0.74053000  0.77964300  0.17375100  1
  Fe  Fe17  1  0.79397200  0.07024600  0.32815000  1
  P  P18  1  0.02206000  0.44732500  0.75293600  1
  P  P19  1  0.11859100  0.70729200  0.88678200  1
  P  P20  1  0.06057300  0.92457900  0.23742000  1
  P  P21  1  0.12313600  0.14805700  0.42257600  1
  P  P22  1  0.37668100  0.64521600  0.57109500  1
  P  P23  1  0.43271500  0.42482800  0.76212500  1
  P  P24  1  0.52370700  0.04880100  0.75152600  1
  P  P25  1  0.38442000  0.21299000  0.11620200  1
  P  P26  1  0.61352900  0.79238500  0.88738100  1
  P  P27  1  0.47184200  0.94919600  0.24406200  1
  P  P28  1  0.56544500  0.57779100  0.24316900  1
  P  P29  1  0.62249400  0.35026000  0.41906400  1
  P  P30  1  0.88036000  0.85847400  0.57181200  1
  P  P31  1  0.93938700  0.07603000  0.76196000  1
  P  P32  1  0.88665500  0.28763900  0.11640800  1
  P  P33  1  0.97489600  0.55338600  0.24143900  1
  O  O34  1  0.00807200  0.42349000  0.61797600  1
  O  O35  1  0.03479600  0.85407700  0.56694500  1
  O  O36  1  0.09065800  0.08623800  0.73372700  1
  O  O37  1  0.10728900  0.58876800  0.78383200  1
  O  O38  1  0.10874700  0.34191700  0.83812800  1
  O  O39  1  0.17766500  0.82834500  0.82634800  1
  O  O40  1  0.22360200  0.65721500  0.00289800  1
  O  O41  1  0.02843800  0.25816800  0.09289600  1
  O  O42  1  0.12096700  0.06891100  0.29545000  1
  O  O43  1  0.06254800  0.93062900  0.10276000  1
  O  O44  1  0.13177700  0.53898900  0.22178400  1
  O  O45  1  0.19018500  0.28636200  0.40763000  1
  O  O46  1  0.16820800  0.81625700  0.29764700  1
  O  O47  1  0.21976700  0.06491300  0.52254400  1
  O  O48  1  0.29029000  0.56271400  0.46734800  1
  O  O49  1  0.34051800  0.30526900  0.69753400  1
  O  O50  1  0.31513100  0.78781600  0.59218200  1
  O  O51  1  0.37001400  0.03863100  0.77881200  1
  O  O52  1  0.37567800  0.56505700  0.69813300  1
  O  O53  1  0.41797600  0.42881700  0.89337600  1
  O  O54  1  0.47106900  0.76305400  0.91042100  1
  O  O55  1  0.27551300  0.16292400  0.99922600  1
  O  O56  1  0.32474700  0.33026000  0.18118800  1
  O  O57  1  0.38937400  0.09003900  0.21683300  1
  O  O58  1  0.41012100  0.58701900  0.26409200  1
  O  O59  1  0.38956600  0.84349500  0.15449900  1
  O  O60  1  0.47089800  0.33936800  0.43680500  1
  O  O61  1  0.52302800  0.08710300  0.62174200  1
  O  O62  1  0.47494100  0.91653100  0.37690200  1
  O  O63  1  0.52939200  0.66359500  0.56009200  1
  O  O64  1  0.61382700  0.14474500  0.85042300  1
  O  O65  1  0.58604500  0.40843600  0.74022000  1
  O  O66  1  0.59512800  0.90219700  0.77456900  1
  O  O67  1  0.69044400  0.67337500  0.83948900  1
  O  O68  1  0.71555100  0.86367900  0.99740100  1
  O  O69  1  0.52535800  0.22837200  0.08706000  1
  O  O70  1  0.57717000  0.59015100  0.11130100  1
  O  O71  1  0.61689600  0.42895500  0.29175600  1
  O  O72  1  0.62308400  0.96847600  0.21782100  1
  O  O73  1  0.69135900  0.21274800  0.40307700  1
  O  O74  1  0.66306700  0.68264300  0.32166900  1
  O  O75  1  0.71842100  0.43339600  0.52046500  1
  O  O76  1  0.78726800  0.93491200  0.46610200  1
  O  O77  1  0.84475000  0.19681600  0.70661700  1
  O  O78  1  0.81578300  0.71813700  0.58533700  1
  O  O79  1  0.87641500  0.46312800  0.79399200  1
  O  O80  1  0.93669700  0.06393600  0.89583700  1
  O  O81  1  0.87109300  0.93890100  0.69773300  1
  O  O82  1  0.97562200  0.72878600  0.91352400  1
  O  O83  1  0.78766100  0.34546100  0.99784700  1
  O  O84  1  0.81247100  0.16799000  0.16948900  1
  O  O85  1  0.89378100  0.64005500  0.13623800  1
  O  O86  1  0.90162700  0.40290800  0.22216200  1
  O  O87  1  0.91266200  0.91295400  0.26776100  1
  O  O88  1  0.96995500  0.15730500  0.43674600  1
  O  O89  1  0.96778000  0.59550400  0.36821400  1
