# generated using pymatgen
data_LiVFe(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16116900
_cell_length_b   8.09056285
_cell_length_c   13.70531746
_cell_angle_alpha   89.82000424
_cell_angle_beta   82.75926675
_cell_angle_gamma   89.93726229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVFe(P2O7)2
_chemical_formula_sum   'Li3 V3 Fe3 P12 O42'
_cell_volume   787.72073381
_cell_formula_units_Z   3
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  0.16031000  0.86404100  0.16634600  1
  Li  Li1  1  0.82589500  0.86414200  0.50041100  1
  Li  Li2  1  0.83958700  0.36123600  0.83220500  1
  V  V3  1  0.11772900  0.49436300  0.16277700  1
  V  V4  1  0.78230900  0.49521000  0.49486700  1
  V  V5  1  0.44322100  0.50703200  0.82916700  1
  Fe  Fe6  1  0.56139300  0.01001600  0.17059900  1
  Fe  Fe7  1  0.23078200  0.00838100  0.50590400  1
  Fe  Fe8  1  0.88604300  0.99404000  0.83798900  1
  P  P9  1  0.86946600  0.77931100  0.04375400  1
  P  P10  1  0.47848100  0.67767300  0.04143100  1
  P  P11  1  0.79586600  0.28430300  0.28879500  1
  P  P12  1  0.18374300  0.17920400  0.29403300  1
  P  P13  1  0.53631300  0.78053500  0.37561000  1
  P  P14  1  0.14578800  0.67904000  0.37486800  1
  P  P15  1  0.84938000  0.18106600  0.62667200  1
  P  P16  1  0.46181700  0.28565800  0.62410700  1
  P  P17  1  0.81601000  0.68165700  0.70652200  1
  P  P18  1  0.20532800  0.78178000  0.70987300  1
  P  P19  1  0.52034800  0.17763800  0.95909900  1
  P  P20  1  0.13226800  0.28408300  0.95588200  1
  O  O21  1  0.69643900  0.64778900  0.05298700  1
  O  O22  1  0.81366000  0.93202100  0.10647500  1
  O  O23  1  0.53847400  0.17939500  0.06801900  1
  O  O24  1  0.42033000  0.84691000  0.08415000  1
  O  O25  1  0.37113000  0.53693200  0.09827300  1
  O  O26  1  0.86810100  0.43639600  0.22760900  1
  O  O27  1  0.08361900  0.33206100  0.06493800  1
  O  O28  1  0.96264100  0.14879500  0.28321400  1
  O  O29  1  0.02839100  0.68540000  0.08656100  1
  O  O30  1  0.63328800  0.19251200  0.25454100  1
  O  O31  1  0.58817600  0.82357700  0.26785700  1
  O  O32  1  0.28167200  0.04044600  0.23135900  1
  O  O33  1  0.23214400  0.35084400  0.24795500  1
  O  O34  1  0.13103200  0.67486800  0.26292500  1
  O  O35  1  0.74901500  0.33466800  0.39773400  1
  O  O36  1  0.69601900  0.68654600  0.41811300  1
  O  O37  1  0.36357100  0.64863800  0.38637700  1
  O  O38  1  0.48099500  0.93193500  0.43994700  1
  O  O39  1  0.20834500  0.17720100  0.40170000  1
  O  O40  1  0.94834400  0.04057500  0.56670600  1
  O  O41  1  0.89881400  0.35174500  0.58015100  1
  O  O42  1  0.08752100  0.84787800  0.41890900  1
  O  O43  1  0.03782900  0.53758800  0.43019300  1
  O  O44  1  0.79646100  0.67330700  0.59535300  1
  O  O45  1  0.53456600  0.43630900  0.56142200  1
  O  O46  1  0.62912600  0.14978100  0.61746300  1
  O  O47  1  0.29947700  0.19339100  0.58967400  1
  O  O48  1  0.25632900  0.82536300  0.60182500  1
  O  O49  1  0.87495700  0.18461600  0.73525900  1
  O  O50  1  0.76160700  0.85119500  0.74694100  1
  O  O51  1  0.71277800  0.53945700  0.76593100  1
  O  O52  1  0.41787100  0.33914600  0.73249100  1
  O  O53  1  0.36300900  0.68098500  0.74780500  1
  O  O54  1  0.96636100  0.20009100  0.91740100  1
  O  O55  1  0.03277900  0.64623300  0.71833300  1
  O  O56  1  0.92444900  0.81860400  0.93570000  1
  O  O57  1  0.14053200  0.93042500  0.77335200  1
  O  O58  1  0.62465900  0.04020600  0.90055700  1
  O  O59  1  0.57168200  0.34809200  0.91008000  1
  O  O60  1  0.46263300  0.66527200  0.93035600  1
  O  O61  1  0.19463500  0.43812700  0.89342500  1
  O  O62  1  0.29783700  0.15022900  0.94836600  1
