# generated using pymatgen
data_LiVCr(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05754800
_cell_length_b   9.73277448
_cell_length_c   13.30095893
_cell_angle_alpha   87.88242066
_cell_angle_beta   89.88023452
_cell_angle_gamma   89.98209208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCr(P2O7)2
_chemical_formula_sum   'Li4 V4 Cr4 P16 O56'
_cell_volume   1042.37712896
_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  0.13550700  0.16874400  0.83730900  1
  Li  Li1  1  0.13566300  0.41890400  0.33740200  1
  Li  Li2  1  0.63823500  0.58218300  0.66474800  1
  Li  Li3  1  0.63762000  0.83209200  0.16436900  1
  V  V4  1  0.50448700  0.17378600  0.86129000  1
  V  V5  1  0.50404700  0.42190000  0.36198400  1
  V  V6  1  0.49246900  0.67607900  0.86422300  1
  V  V7  1  0.49332400  0.92779400  0.36358900  1
  Cr  Cr8  1  0.99437900  0.07310500  0.63633400  1
  Cr  Cr9  1  0.99321500  0.32405900  0.13561100  1
  Cr  Cr10  1  0.00211700  0.57670400  0.63719300  1
  Cr  Cr11  1  0.00300800  0.82560000  0.13805800  1
  P  P12  1  0.82301900  0.06974400  0.25922900  1
  P  P13  1  0.21808200  0.08701800  0.04441600  1
  P  P14  1  0.71898200  0.15972500  0.45766900  1
  P  P15  1  0.32159100  0.18297900  0.23894600  1
  P  P16  1  0.81971000  0.32141400  0.76123100  1
  P  P17  1  0.21777500  0.33557400  0.54410200  1
  P  P18  1  0.71698900  0.41356400  0.95745300  1
  P  P19  1  0.31762500  0.43024600  0.73775800  1
  P  P20  1  0.81977100  0.57118400  0.26138600  1
  P  P21  1  0.21663300  0.58565300  0.04306200  1
  P  P22  1  0.71650900  0.66418200  0.45567900  1
  P  P23  1  0.31781400  0.67974800  0.23802600  1
  P  P24  1  0.82355800  0.81921200  0.75933700  1
  P  P25  1  0.21733600  0.83715500  0.54320100  1
  P  P26  1  0.71868300  0.91065400  0.95569800  1
  P  P27  1  0.32166500  0.93256400  0.73912800  1
  O  O28  1  0.15154300  0.00131600  0.74683600  1
  O  O29  1  0.46136000  0.03147800  0.76570600  1
  O  O30  1  0.33108800  0.04805000  0.30337500  1
  O  O31  1  0.56372500  0.06719500  0.45549100  1
  O  O32  1  0.67018300  0.05975700  0.92541400  1
  O  O33  1  0.85047500  0.11108200  0.37551200  1
  O  O34  1  0.31234200  0.10081400  0.94308800  1
  O  O35  1  0.35265100  0.14295100  0.12460000  1
  O  O36  1  0.81177300  0.16077000  0.55523800  1
  O  O37  1  0.06484000  0.17945300  0.04045400  1
  O  O38  1  0.17785000  0.18779500  0.57316000  1
  O  O39  1  0.81892900  0.20171900  0.19566700  1
  O  O40  1  0.95898300  0.22004400  0.74163600  1
  O  O41  1  0.15134300  0.25153700  0.24547600  1
  O  O42  1  0.64711200  0.25371600  0.75926600  1
  O  O43  1  0.46178800  0.28134400  0.26450100  1
  O  O44  1  0.32433200  0.29609100  0.80372800  1
  O  O45  1  0.66455200  0.30899900  0.42677900  1
  O  O46  1  0.56508700  0.31681400  0.95224000  1
  O  O47  1  0.31068000  0.34769600  0.44205700  1
  O  O48  1  0.85251600  0.36405400  0.87587800  1
  O  O49  1  0.80884600  0.41173000  0.05535400  1
  O  O50  1  0.35585400  0.39095600  0.62312500  1
  O  O51  1  0.17551300  0.43726700  0.07156300  1
  O  O52  1  0.06724800  0.43113700  0.54081200  1
  O  O53  1  0.81771800  0.45169100  0.69411500  1
  O  O54  1  0.95906500  0.46996000  0.24169000  1
  O  O55  1  0.64786000  0.50301800  0.26057300  1
  O  O56  1  0.14697200  0.49316300  0.74293200  1
  O  O57  1  0.45973300  0.53007900  0.76045700  1
  O  O58  1  0.32580600  0.54570200  0.30472900  1
  O  O59  1  0.56438100  0.56754400  0.45439800  1
  O  O60  1  0.66131400  0.56017800  0.92467500  1
  O  O61  1  0.85399900  0.61339500  0.37691400  1
  O  O62  1  0.31718600  0.59383100  0.94461100  1
  O  O63  1  0.35499900  0.63966500  0.12424200  1
  O  O64  1  0.80079800  0.65662000  0.55767300  1
  O  O65  1  0.06741900  0.68103700  0.04353100  1
  O  O66  1  0.17989700  0.68728100  0.56983800  1
  O  O67  1  0.81738100  0.70173900  0.19497100  1
  O  O68  1  0.96146000  0.71945700  0.73751800  1
  O  O69  1  0.14714500  0.74275200  0.24451800  1
  O  O70  1  0.65198900  0.74509200  0.75893700  1
  O  O71  1  0.45979200  0.77997300  0.26093300  1
  O  O72  1  0.33245900  0.79811500  0.80439900  1
  O  O73  1  0.66492000  0.81094600  0.42364200  1
  O  O74  1  0.56309600  0.81774800  0.95682700  1
  O  O75  1  0.31976600  0.84592900  0.44565400  1
  O  O76  1  0.85213800  0.85942200  0.87659200  1
  O  O77  1  0.80301100  0.90462400  0.05774100  1
  O  O78  1  0.35206400  0.89190600  0.62567900  1
  O  O79  1  0.18198800  0.93764800  0.07134400  1
  O  O80  1  0.06546000  0.92955200  0.54285700  1
  O  O81  1  0.81892400  0.95174000  0.69661600  1
  O  O82  1  0.96044600  0.96941900  0.23764400  1
  O  O83  1  0.65107400  0.99550900  0.25799600  1
