# generated using pymatgen
data_Li6V5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18197200
_cell_length_b   10.52497670
_cell_length_c   13.20451080
_cell_angle_alpha   87.86025920
_cell_angle_beta   106.23093137
_cell_angle_gamma   113.82080892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6V5(P2O7)4
_chemical_formula_sum   'Li12 V10 P16 O56'
_cell_volume   1116.69644712
_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  0.08426200  0.12782400  0.06063300  1
  Li  Li1  1  0.87855900  0.40871300  0.17162900  1
  Li  Li2  1  0.50000000  0.50000000  0.00000000  1
  Li  Li3  1  0.12144100  0.59128700  0.82837100  1
  Li  Li4  1  0.91573800  0.87217600  0.93936700  1
  Li  Li5  1  0.82260900  0.98868200  0.72225200  1
  Li  Li6  1  0.10830200  0.13906700  0.55607600  1
  Li  Li7  1  0.88899300  0.40475300  0.67949700  1
  Li  Li8  1  0.50000000  0.50000000  0.50000000  1
  Li  Li9  1  0.11100700  0.59524700  0.32050300  1
  Li  Li10  1  0.89169800  0.86093300  0.44392400  1
  Li  Li11  1  0.17739100  0.01131800  0.27774800  1
  V  V12  1  0.10171500  0.72178800  0.11149800  1
  V  V13  1  0.80440400  0.01031800  0.24141100  1
  V  V14  1  0.49122700  0.75662300  0.06572600  1
  V  V15  1  0.50877300  0.24337700  0.93427400  1
  V  V16  1  0.19559600  0.98968200  0.75858900  1
  V  V17  1  0.89828500  0.27821200  0.88850200  1
  V  V18  1  0.10065700  0.71781000  0.60758600  1
  V  V19  1  0.50126500  0.75878300  0.56754900  1
  V  V20  1  0.49873500  0.24121700  0.43245100  1
  V  V21  1  0.89934300  0.28219000  0.39241400  1
  P  P22  1  0.19366500  0.44500100  0.09924200  1
  P  P23  1  0.55079900  0.19189300  0.18682200  1
  P  P24  1  0.80845800  0.69719900  0.21110700  1
  P  P25  1  0.28452800  0.96104300  0.02759500  1
  P  P26  1  0.71547200  0.03895700  0.97240500  1
  P  P27  1  0.19154200  0.30280100  0.78889300  1
  P  P28  1  0.44920100  0.80810700  0.81317800  1
  P  P29  1  0.80633500  0.55499900  0.90075800  1
  P  P30  1  0.20224300  0.44873800  0.60060800  1
  P  P31  1  0.53697500  0.19368600  0.68250100  1
  P  P32  1  0.82069200  0.69518500  0.71000000  1
  P  P33  1  0.28966100  0.96024200  0.52951300  1
  P  P34  1  0.71033900  0.03975800  0.47048700  1
  P  P35  1  0.17930800  0.30481500  0.29000000  1
  P  P36  1  0.46302500  0.80631400  0.31749900  1
  P  P37  1  0.79775700  0.55126200  0.39939200  1
  O  O38  1  0.07334500  0.15137600  0.23861700  1
  O  O39  1  0.27911800  0.39589900  0.21024600  1
  O  O40  1  0.56252400  0.83283600  0.23609800  1
  O  O41  1  0.08434600  0.51337900  0.12067900  1
  O  O42  1  0.72482200  0.18951400  0.23829500  1
  O  O43  1  0.13695000  0.95537800  0.06630800  1
  O  O44  1  0.45308800  0.03964600  0.11846100  1
  O  O45  1  0.93359700  0.63777500  0.20303600  1
  O  O46  1  0.08868500  0.30724500  0.03005200  1
  O  O47  1  0.33590300  0.54229400  0.05965800  1
  O  O48  1  0.27562200  0.81270200  0.01750400  1
  O  O49  1  0.67876900  0.67947500  0.10593900  1
  O  O50  1  0.56240700  0.30074900  0.10632400  1
  O  O51  1  0.70487200  0.96050500  0.07172000  1
  O  O52  1  0.29512800  0.03949500  0.92828000  1
  O  O53  1  0.43759300  0.69925100  0.89367600  1
  O  O54  1  0.32123100  0.32052500  0.89406100  1
  O  O55  1  0.72437800  0.18729800  0.98249600  1
  O  O56  1  0.66409700  0.45770600  0.94034200  1
  O  O57  1  0.91131500  0.69275500  0.96994800  1
  O  O58  1  0.06640300  0.36222500  0.79696400  1
  O  O59  1  0.54691200  0.96035400  0.88153900  1
  O  O60  1  0.86305000  0.04462200  0.93369200  1
  O  O61  1  0.27517800  0.81048600  0.76170500  1
  O  O62  1  0.09962400  0.15093900  0.73477500  1
  O  O63  1  0.91565400  0.48662100  0.87932100  1
  O  O64  1  0.43747600  0.16716400  0.76390200  1
  O  O65  1  0.29128900  0.40221100  0.71139000  1
  O  O66  1  0.72088200  0.60410100  0.78975400  1
  O  O67  1  0.54410200  0.81137600  0.73508300  1
  O  O68  1  0.09578700  0.51768200  0.62525100  1
  O  O69  1  0.92665500  0.84862400  0.76138300  1
  O  O70  1  0.72140600  0.22762300  0.73323000  1
  O  O71  1  0.14570900  0.95463100  0.57630000  1
  O  O72  1  0.46289500  0.03826200  0.61857500  1
  O  O73  1  0.93478300  0.62504400  0.69963800  1
  O  O74  1  0.09079700  0.31058000  0.53259100  1
  O  O75  1  0.33920400  0.54437600  0.55607500  1
  O  O76  1  0.27836600  0.81153500  0.51744100  1
  O  O77  1  0.68926900  0.68245200  0.60717000  1
  O  O78  1  0.50579500  0.28830800  0.59725100  1
  O  O79  1  0.71338700  0.96192500  0.56932900  1
  O  O80  1  0.28661300  0.03807500  0.43067100  1
  O  O81  1  0.49420500  0.71169200  0.40274900  1
  O  O82  1  0.31073100  0.31754800  0.39283000  1
  O  O83  1  0.72163400  0.18846500  0.48255900  1
  O  O84  1  0.66079600  0.45562400  0.44392500  1
  O  O85  1  0.90920300  0.68942000  0.46740900  1
  O  O86  1  0.06521700  0.37495600  0.30036200  1
  O  O87  1  0.53710500  0.96173800  0.38142500  1
  O  O88  1  0.85429100  0.04536900  0.42370000  1
  O  O89  1  0.27859400  0.77237700  0.26677000  1
  O  O90  1  0.90421300  0.48231800  0.37474900  1
  O  O91  1  0.45589800  0.18862400  0.26491700  1
  O  O92  1  0.70871100  0.59778900  0.28861000  1
  O  O93  1  0.90037600  0.84906100  0.26522500  1
