# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09231500
_cell_length_b   9.76212500
_cell_length_c   13.32471495
_cell_angle_alpha   91.95390150
_cell_angle_beta   90.13985213
_cell_angle_gamma   90.00078647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li4 V4 Fe4 P16 O56'
_cell_volume   1052.01321594
_cell_formula_units_Z   4
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  0.86435800  0.83198000  0.83613500  1
  Li  Li1  1  0.86425200  0.58177000  0.33656900  1
  Li  Li2  1  0.36076000  0.41906200  0.66499300  1
  Li  Li3  1  0.36132700  0.16915700  0.16464700  1
  V  V4  1  0.49461800  0.82640100  0.86078100  1
  V  V5  1  0.49594100  0.57783000  0.36139900  1
  V  V6  1  0.50785100  0.32368200  0.86395000  1
  V  V7  1  0.50613100  0.07223300  0.36316100  1
  Fe  Fe8  1  0.00942000  0.92744200  0.63290500  1
  Fe  Fe9  1  0.01052700  0.67593400  0.13239600  1
  Fe  Fe10  1  0.99431800  0.42190400  0.63751800  1
  Fe  Fe11  1  0.99353600  0.17350400  0.13797000  1
  P  P12  1  0.17757600  0.93033600  0.25984700  1
  P  P13  1  0.77905700  0.91213300  0.04375400  1
  P  P14  1  0.28361200  0.83900200  0.45686800  1
  P  P15  1  0.67857600  0.81692300  0.23977800  1
  P  P16  1  0.18042600  0.67846100  0.76156000  1
  P  P17  1  0.78068000  0.66414000  0.54386100  1
  P  P18  1  0.28549200  0.58561200  0.95671600  1
  P  P19  1  0.68171900  0.57063900  0.73849700  1
  P  P20  1  0.18052700  0.42884100  0.26205500  1
  P  P21  1  0.78172500  0.41442100  0.04315700  1
  P  P22  1  0.28577200  0.33556300  0.45570600  1
  P  P23  1  0.68162200  0.32104500  0.23882800  1
  P  P24  1  0.17766800  0.18088500  0.76028100  1
  P  P25  1  0.77964700  0.16228600  0.54285000  1
  P  P26  1  0.28356500  0.08887200  0.95595100  1
  P  P27  1  0.67844300  0.06722900  0.73996100  1
  O  O28  1  0.84750700  0.99935600  0.74825700  1
  O  O29  1  0.53792000  0.96927100  0.76561600  1
  O  O30  1  0.66616900  0.95257300  0.30308200  1
  O  O31  1  0.43686200  0.93249700  0.45479100  1
  O  O32  1  0.33165200  0.94044700  0.92537100  1
  O  O33  1  0.15125400  0.88815200  0.37567000  1
  O  O34  1  0.68469800  0.89830100  0.94304900  1
  O  O35  1  0.64771200  0.85750200  0.12534400  1
  O  O36  1  0.19094900  0.83930100  0.55476200  1
  O  O37  1  0.93191900  0.82035900  0.03971500  1
  O  O38  1  0.82310500  0.81139400  0.57292700  1
  O  O39  1  0.17923400  0.79923300  0.19600800  1
  O  O40  1  0.04071300  0.77881000  0.74232700  1
  O  O41  1  0.84748500  0.74920600  0.24707000  1
  O  O42  1  0.35161800  0.74799100  0.76016100  1
  O  O43  1  0.53747000  0.71947700  0.26487200  1
  O  O44  1  0.67364300  0.70469400  0.80355600  1
  O  O45  1  0.33617200  0.69056000  0.42651200  1
  O  O46  1  0.43574200  0.68279200  0.95173200  1
  O  O47  1  0.68742900  0.65142200  0.44246800  1
  O  O48  1  0.14959600  0.63458400  0.87609800  1
  O  O49  1  0.19432600  0.58809400  0.05481500  1
  O  O50  1  0.64461200  0.60961100  0.62379600  1
  O  O51  1  0.82602900  0.56166900  0.07152600  1
  O  O52  1  0.93031000  0.56820200  0.54099400  1
  O  O53  1  0.18357700  0.54913600  0.69426300  1
  O  O54  1  0.04084700  0.52862600  0.24258600  1
  O  O55  1  0.35130300  0.49861600  0.26162800  1
  O  O56  1  0.85181200  0.50772700  0.74413500  1
  O  O57  1  0.54021500  0.47035000  0.76050600  1
  O  O58  1  0.67271600  0.45515800  0.30434400  1
  O  O59  1  0.43684400  0.43230400  0.45314000  1
  O  O60  1  0.34052100  0.43929900  0.92435900  1
  O  O61  1  0.14831700  0.38524000  0.37732700  1
  O  O62  1  0.68106400  0.40578200  0.94506200  1
  O  O63  1  0.64553500  0.36103500  0.12490000  1
  O  O64  1  0.20299100  0.34364000  0.55785500  1
  O  O65  1  0.92974700  0.31792600  0.04379600  1
  O  O66  1  0.82041500  0.31148300  0.56884400  1
  O  O67  1  0.18448900  0.29922700  0.19514700  1
  O  O68  1  0.04019200  0.28027400  0.73744300  1
  O  O69  1  0.85167200  0.25796400  0.24577700  1
  O  O70  1  0.34784100  0.25561000  0.75960700  1
  O  O71  1  0.54007600  0.22056900  0.26086300  1
  O  O72  1  0.66522600  0.20244100  0.80396800  1
  O  O73  1  0.33719200  0.18909100  0.42351300  1
  O  O74  1  0.43808800  0.18212500  0.95593100  1
  O  O75  1  0.67791000  0.15333300  0.44568300  1
  O  O76  1  0.14995400  0.13959300  0.87690800  1
  O  O77  1  0.20014700  0.09562600  0.05791200  1
  O  O78  1  0.64834800  0.10883800  0.62642500  1
  O  O79  1  0.81762500  0.06137000  0.07007000  1
  O  O80  1  0.93095600  0.06975900  0.54240800  1
  O  O81  1  0.18004200  0.04913300  0.69699100  1
  O  O82  1  0.04051200  0.03065500  0.23734400  1
  O  O83  1  0.34819000  0.00515800  0.25850200  1
