# generated using pymatgen
data_Li2VCr(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01622500
_cell_length_b   9.54376036
_cell_length_c   12.75185769
_cell_angle_alpha   99.52068436
_cell_angle_beta   104.20500152
_cell_angle_gamma   99.37664069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VCr(P2O7)2
_chemical_formula_sum   'Li6 V3 Cr3 P12 O42'
_cell_volume   797.65971887
_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  0.67656300  0.48373200  0.84646400  1
  Li  Li1  1  0.32322600  0.03254700  0.89556300  1
  Li  Li2  1  0.32346600  0.69875200  0.56188300  1
  Li  Li3  1  0.67694400  0.81673400  0.17976800  1
  Li  Li4  1  0.67638300  0.15043000  0.51334200  1
  Li  Li5  1  0.32341600  0.36590400  0.22899600  1
  V  V6  1  0.27103200  0.26169500  0.76090100  1
  V  V7  1  0.27074600  0.59508400  0.09451700  1
  V  V8  1  0.72880000  0.07230800  0.07185700  1
  Cr  Cr9  1  0.72752800  0.73799200  0.73755400  1
  Cr  Cr10  1  0.27193500  0.92828800  0.42858200  1
  Cr  Cr11  1  0.72788500  0.40525700  0.40498200  1
  P  P12  1  0.47882100  0.74634900  0.92637700  1
  P  P13  1  0.08466000  0.54919500  0.83163700  1
  P  P14  1  0.47911100  0.41361500  0.59328000  1
  P  P15  1  0.91424700  0.07221300  0.85699000  1
  P  P16  1  0.91458300  0.73985100  0.52387300  1
  P  P17  1  0.08593900  0.88137800  0.16639900  1
  P  P18  1  0.08564500  0.21501600  0.49806300  1
  P  P19  1  0.52290600  0.01260100  0.69312200  1
  P  P20  1  0.52295200  0.68023300  0.36046900  1
  P  P21  1  0.47708000  0.07987200  0.26070700  1
  P  P22  1  0.91397600  0.40694700  0.19160100  1
  P  P23  1  0.52193600  0.34677200  0.02671800  1
  O  O24  1  0.51756900  0.91308300  0.95022300  1
  O  O25  1  0.07966000  0.50972600  0.94301300  1
  O  O26  1  0.24632000  0.70071000  0.85241900  1
  O  O27  1  0.91583700  0.90987100  0.84478000  1
  O  O28  1  0.60666100  0.68000700  0.85843600  1
  O  O29  1  0.50923600  0.85144400  0.69791800  1
  O  O30  1  0.48232600  0.37097400  0.90807100  1
  O  O31  1  0.14690100  0.43462200  0.75688100  1
  O  O32  1  0.11549700  0.15882600  0.85542100  1
  O  O33  1  0.11624600  0.82703500  0.52077500  1
  O  O34  1  0.88317800  0.58198000  0.77448500  1
  O  O35  1  0.85471600  0.80213700  0.62559900  1
  O  O36  1  0.85120700  0.13471600  0.95786800  1
  O  O37  1  0.51815200  0.58021700  0.61666400  1
  O  O38  1  0.49513600  0.35469500  0.69884800  1
  O  O39  1  0.39352700  0.74738100  0.42691500  1
  O  O40  1  0.39425200  0.08052600  0.76022000  1
  O  O41  1  0.08046600  0.17631600  0.60975800  1
  O  O42  1  0.08414700  0.84348000  0.27831100  1
  O  O43  1  0.24671600  0.36754900  0.51929100  1
  O  O44  1  0.75356600  0.09694200  0.74883100  1
  O  O45  1  0.75422600  0.76403100  0.41568600  1
  O  O46  1  0.91738600  0.57756400  0.51160300  1
  O  O47  1  0.60699200  0.34690300  0.52533000  1
  O  O48  1  0.50948300  0.51883900  0.36486700  1
  O  O49  1  0.48303300  0.70365400  0.24165400  1
  O  O50  1  0.48159500  0.03652500  0.57458200  1
  O  O51  1  0.14895800  0.76770600  0.09105100  1
  O  O52  1  0.14594800  0.09986900  0.42316000  1
  O  O53  1  0.11508300  0.49248900  0.18870000  1
  O  O54  1  0.88390100  0.24844900  0.44126700  1
  O  O55  1  0.88438800  0.91205600  0.10901100  1
  O  O56  1  0.85262100  0.46876800  0.29270700  1
  O  O57  1  0.51828800  0.24635700  0.28415700  1
  O  O58  1  0.49427400  0.68780900  0.03201400  1
  O  O59  1  0.49040200  0.01990900  0.36628500  1
  O  O60  1  0.39409000  0.41552900  0.09398900  1
  O  O61  1  0.24640400  0.03397000  0.18584600  1
  O  O62  1  0.75344400  0.43006900  0.08263300  1
  O  O63  1  0.91796000  0.24440800  0.17933700  1
  O  O64  1  0.60564600  0.01303200  0.19301300  1
  O  O65  1  0.50477700  0.18590100  0.03031400  1
